2-[1-butan-2-yl-6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)pyrimidin-4-yl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclopentyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-(2-methylpropyl)-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-hydroxy-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-(2-oxopropoxy)-1-propan-2-ylquinolin-2-one

C319H375Cl13F9N75O40 — CID 167624307

IUPAC2-[1-butan-2-yl-6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)pyrimidin-4-yl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclopentyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-(2-methylpropyl)-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-hydroxy-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-(2-oxopropoxy)-1-propan-2-ylquinolin-2-one
SMILESCC(=O)COc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C(C)C)c1=O.CC(C)n1c(=O)c(OCC(=O)N(C)O)cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc21.CCC(C)n1c(=O)c(OCC(=O)NC)cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc21.CNC(=O)COc1cc2c(F)c(Nc3cc(N4CCC(F)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2c(F)c(Nc3cc(N4CCCCC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2c(F)c(Nc3cc(N4CCNCC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2c(F)c(Nc3nc(N4CCC(F)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2c(F)c(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2c(F)c(Nc3nc(N4CCNCC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2cc(Nc3cc(N4CCC(F)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C2CCC2)c1=O.CNC(=O)COc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C2CCCC2)c1=O.CNC(=O)COc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(CC(C)C)c1=O
InChIInChI=1S/C26H31ClN6O3.C25H28ClF2N5O3.2C25H29ClFN5O3.C25H29ClN6O3.2C25H31ClN6O3.C24H27ClF2N6O3.2C24H28ClFN6O3.C24H29ClN6O4.C24H28ClN5O3.C23H27ClFN7O3/c1-28-23(34)16-36-22-14-17-13-18(9-10-21(17)33(25(22)35)19-7-3-4-8-19)30-24-20(27)15-29-26(31-24)32-11-5-2-6-12-32;1-14(2)33-20-5-4-18(24(28)16(20)10-21(25(33)35)36-13-23(34)29-3)31-19-11-22(30-12-17(19)26)32-8-6-15(27)7-9-32;1-15(2)32-21-5-4-18(10-16(21)11-22(25(32)34)35-14-24(33)28-3)30-20-12-23(29-13-19(20)26)31-8-6-17(27)7-9-31;1-15(2)32-20-8-7-18(24(27)16(20)11-21(25(32)34)35-14-23(33)28-3)30-19-12-22(29-13-17(19)26)31-9-5-4-6-10-31;1-27-22(33)15-35-21-13-16-12-17(8-9-20(16)32(24(21)34)18-6-5-7-18)29-23-19(26)14-28-25(30-23)31-10-3-2-4-11-31;1-16(2)14-32-20-8-7-18(11-17(20)12-21(24(32)34)35-15-22(33)27-3)29-23-19(26)13-28-25(30-23)31-9-5-4-6-10-31;1-4-16(2)32-20-9-8-18(12-17(20)13-21(24(32)34)35-15-22(33)27-3)29-23-19(26)14-28-25(30-23)31-10-6-5-7-11-31;1-13(2)33-18-5-4-17(21(27)15(18)10-19(23(33)35)36-12-20(34)28-3)30-22-16(25)11-29-24(31-22)32-8-6-14(26)7-9-32;1-14(2)32-19-5-4-17(23(26)15(19)10-20(24(32)34)35-13-22(33)27-3)30-18-11-21(29-12-16(18)25)31-8-6-28-7-9-31;1-14(2)32-18-8-7-17(21(26)15(18)11-19(23(32)34)35-13-20(33)27-3)29-22-16(25)12-28-24(30-22)31-9-5-4-6-10-31;1-15(2)31-19-8-7-17(11-16(19)12-20(23(31)33)35-14-21(32)29(3)34)27-22-18(25)13-26-24(28-22)30-9-5-4-6-10-30;1-15(2)30-20-8-7-18(11-17(20)12-21(23(30)32)33-14-16(3)31)27-22-19(25)13-26-24(28-22)29-9-5-4-6-10-29;1-13(2)32-17-5-4-16(20(25)14(17)10-18(22(32)34)35-12-19(33)26-3)29-21-15(24)11-28-23(30-21)31-8-6-27-7-9-31/h9-10,13-15,19H,2-8,11-12,16H2,1H3,(H,28,34)(H,29,30,31);4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,29,34)(H,30,31);4-5,10-13,15,17H,6-9,14H2,1-3H3,(H,28,33)(H,29,30);7-8,11-13,15H,4-6,9-10,14H2,1-3H3,(H,28,33)(H,29,30);8-9,12-14,18H,2-7,10-11,15H2,1H3,(H,27,33)(H,28,29,30);7-8,11-13,16H,4-6,9-10,14-15H2,1-3H3,(H,27,33)(H,28,29,30);8-9,12-14,16H,4-7,10-11,15H2,1-3H3,(H,27,33)(H,28,29,30);4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,28,34)(H,29,30,31);4-5,10-12,14,28H,6-9,13H2,1-3H3,(H,27,33)(H,29,30);7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,27,33)(H,28,29,30);7-8,11-13,15,34H,4-6,9-10,14H2,1-3H3,(H,26,27,28);7-8,11-13,15H,4-6,9-10,14H2,1-3H3,(H,26,27,28);4-5,10-11,13,27H,6-9,12H2,1-3H3,(H,26,33)(H,28,29,30)
InChIKeyMWLSBZOAXHOQEU-UHFFFAOYSA-N
MW6531.87 g/mol
LogP52.52
Rot. Bonds93

About 2-[1-butan-2-yl-6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)pyrimidin-4-yl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclopentyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-(2-methylpropyl)-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-hydroxy-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-(2-oxopropoxy)-1-propan-2-ylquinolin-2-one

2-[1-butan-2-yl-6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)pyrimidin-4-yl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclopentyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-(2-methylpropyl)-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-hydroxy-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-(2-oxopropoxy)-1-propan-2-ylquinolin-2-one (PubChem CID 167624307) has the molecular formula C319H375Cl13F9N75O40 and a molecular weight of 6531.87 g/mol. Its IUPAC name is 2-[1-butan-2-yl-6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)pyrimidin-4-yl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclopentyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-(2-methylpropyl)-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-hydroxy-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-(2-oxopropoxy)-1-propan-2-ylquinolin-2-one.

Molecular Properties

Compound Name2-[1-butan-2-yl-6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)pyrimidin-4-yl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclopentyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-(2-methylpropyl)-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-hydroxy-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-(2-oxopropoxy)-1-propan-2-ylquinolin-2-one
PubChem CID167624307
Molecular FormulaC319H375Cl13F9N75O40
Molecular Weight6531.87 g/mol
Exact Mass6521.54
IUPAC Name2-[1-butan-2-yl-6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)pyrimidin-4-yl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclopentyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-(2-methylpropyl)-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-hydroxy-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-(2-oxopropoxy)-1-propan-2-ylquinolin-2-one
SMILESCC(=O)COc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C(C)C)c1=O.CC(C)n1c(=O)c(OCC(=O)N(C)O)cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc21.CCC(C)n1c(=O)c(OCC(=O)NC)cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc21.CNC(=O)COc1cc2c(F)c(Nc3cc(N4CCC(F)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2c(F)c(Nc3cc(N4CCCCC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2c(F)c(Nc3cc(N4CCNCC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2c(F)c(Nc3nc(N4CCC(F)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2c(F)c(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2c(F)c(Nc3nc(N4CCNCC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2cc(Nc3cc(N4CCC(F)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C2CCC2)c1=O.CNC(=O)COc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C2CCCC2)c1=O.CNC(=O)COc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(CC(C)C)c1=O
InChIInChI=1S/C26H31ClN6O3.C25H28ClF2N5O3.2C25H29ClFN5O3.C25H29ClN6O3.2C25H31ClN6O3.C24H27ClF2N6O3.2C24H28ClFN6O3.C24H29ClN6O4.C24H28ClN5O3.C23H27ClFN7O3/c1-28-23(34)16-36-22-14-17-13-18(9-10-21(17)33(25(22)35)19-7-3-4-8-19)30-24-20(27)15-29-26(31-24)32-11-5-2-6-12-32;1-14(2)33-20-5-4-18(24(28)16(20)10-21(25(33)35)36-13-23(34)29-3)31-19-11-22(30-12-17(19)26)32-8-6-15(27)7-9-32;1-15(2)32-21-5-4-18(10-16(21)11-22(25(32)34)35-14-24(33)28-3)30-20-12-23(29-13-19(20)26)31-8-6-17(27)7-9-31;1-15(2)32-20-8-7-18(24(27)16(20)11-21(25(32)34)35-14-23(33)28-3)30-19-12-22(29-13-17(19)26)31-9-5-4-6-10-31;1-27-22(33)15-35-21-13-16-12-17(8-9-20(16)32(24(21)34)18-6-5-7-18)29-23-19(26)14-28-25(30-23)31-10-3-2-4-11-31;1-16(2)14-32-20-8-7-18(11-17(20)12-21(24(32)34)35-15-22(33)27-3)29-23-19(26)13-28-25(30-23)31-9-5-4-6-10-31;1-4-16(2)32-20-9-8-18(12-17(20)13-21(24(32)34)35-15-22(33)27-3)29-23-19(26)14-28-25(30-23)31-10-6-5-7-11-31;1-13(2)33-18-5-4-17(21(27)15(18)10-19(23(33)35)36-12-20(34)28-3)30-22-16(25)11-29-24(31-22)32-8-6-14(26)7-9-32;1-14(2)32-19-5-4-17(23(26)15(19)10-20(24(32)34)35-13-22(33)27-3)30-18-11-21(29-12-16(18)25)31-8-6-28-7-9-31;1-14(2)32-18-8-7-17(21(26)15(18)11-19(23(32)34)35-13-20(33)27-3)29-22-16(25)12-28-24(30-22)31-9-5-4-6-10-31;1-15(2)31-19-8-7-17(11-16(19)12-20(23(31)33)35-14-21(32)29(3)34)27-22-18(25)13-26-24(28-22)30-9-5-4-6-10-30;1-15(2)30-20-8-7-18(11-17(20)12-21(23(30)32)33-14-16(3)31)27-22-19(25)13-26-24(28-22)29-9-5-4-6-10-29;1-13(2)32-17-5-4-16(20(25)14(17)10-18(22(32)34)35-12-19(33)26-3)29-21-15(24)11-28-23(30-21)31-8-6-27-7-9-31/h9-10,13-15,19H,2-8,11-12,16H2,1H3,(H,28,34)(H,29,30,31);4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,29,34)(H,30,31);4-5,10-13,15,17H,6-9,14H2,1-3H3,(H,28,33)(H,29,30);7-8,11-13,15H,4-6,9-10,14H2,1-3H3,(H,28,33)(H,29,30);8-9,12-14,18H,2-7,10-11,15H2,1H3,(H,27,33)(H,28,29,30);7-8,11-13,16H,4-6,9-10,14-15H2,1-3H3,(H,27,33)(H,28,29,30);8-9,12-14,16H,4-7,10-11,15H2,1-3H3,(H,27,33)(H,28,29,30);4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,28,34)(H,29,30,31);4-5,10-12,14,28H,6-9,13H2,1-3H3,(H,27,33)(H,29,30);7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,27,33)(H,28,29,30);7-8,11-13,15,34H,4-6,9-10,14H2,1-3H3,(H,26,27,28);7-8,11-13,15H,4-6,9-10,14H2,1-3H3,(H,26,27,28);4-5,10-11,13,27H,6-9,12H2,1-3H3,(H,26,33)(H,28,29,30)
InChIKeyMWLSBZOAXHOQEU-UHFFFAOYSA-N
XLogP52.52
TPSA1289.85 Ų
H-Bond Donors27
H-Bond Acceptors103
Rotatable Bonds93
Heavy Atoms456
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006531.87
LogP ≤ 552.52
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 10103

Analyze 2-[1-butan-2-yl-6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)pyrimidin-4-yl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclopentyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-(2-methylpropyl)-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-hydroxy-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-(2-oxopropoxy)-1-propan-2-ylquinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;bis(2-[6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide);2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;bis(2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide)
CID 167647281
2-[6-[(5-chloro-2-piperazin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclopentyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-8-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide
CID 167710868
2-[6-[(5-chloro-2-piperazin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide
CID 166077824
2-[6-[[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide
CID 171846981
2-[6-[[5-chloro-2-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide
CID 171846904
1-[5-chloro-4-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-propan-2-ylquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 135137797
1-[5-chloro-4-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-propan-2-ylquinolin-6-yl]amino]pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 135137768
2-[6-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;ethane
CID 171846976
6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one
CID 167674135
2-[6-[[5-chloro-2-(4-fluoroazepan-1-yl)pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
CID 135137511
2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-ethylacetamide
CID 166077300
2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-[2-(dimethylamino)ethyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane
CID 166077383

Frequently Asked Questions

What is the IUPAC name of 2-[1-butan-2-yl-6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)pyrimidin-4-yl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclopentyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-(2-methylpropyl)-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-hydroxy-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-(2-oxopropoxy)-1-propan-2-ylquinolin-2-one?
The IUPAC name of 2-[1-butan-2-yl-6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)pyrimidin-4-yl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclopentyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-(2-methylpropyl)-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-hydroxy-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-(2-oxopropoxy)-1-propan-2-ylquinolin-2-one (CID 167624307) is 2-[1-butan-2-yl-6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)pyrimidin-4-yl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclopentyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-(2-methylpropyl)-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-hydroxy-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-(2-oxopropoxy)-1-propan-2-ylquinolin-2-one.
What is the SMILES notation for 2-[1-butan-2-yl-6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)pyrimidin-4-yl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclopentyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-(2-methylpropyl)-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-hydroxy-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-(2-oxopropoxy)-1-propan-2-ylquinolin-2-one?
The canonical SMILES for 2-[1-butan-2-yl-6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)pyrimidin-4-yl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclopentyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-(2-methylpropyl)-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-hydroxy-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-(2-oxopropoxy)-1-propan-2-ylquinolin-2-one is CC(=O)COc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C(C)C)c1=O.CC(C)n1c(=O)c(OCC(=O)N(C)O)cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc21.CCC(C)n1c(=O)c(OCC(=O)NC)cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc21.CNC(=O)COc1cc2c(F)c(Nc3cc(N4CCC(F)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2c(F)c(Nc3cc(N4CCCCC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2c(F)c(Nc3cc(N4CCNCC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2c(F)c(Nc3nc(N4CCC(F)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2c(F)c(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2c(F)c(Nc3nc(N4CCNCC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2cc(Nc3cc(N4CCC(F)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC(=O)COc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C2CCC2)c1=O.CNC(=O)COc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C2CCCC2)c1=O.CNC(=O)COc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(CC(C)C)c1=O.
What is the InChIKey of 2-[1-butan-2-yl-6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)pyrimidin-4-yl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclopentyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-(2-methylpropyl)-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-hydroxy-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-(2-oxopropoxy)-1-propan-2-ylquinolin-2-one?
The InChIKey is MWLSBZOAXHOQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN6O3.C25H28ClF2N5O3.2C25H29ClFN5O3.C25H29ClN6O3.2C25H31ClN6O3.C24H27ClF2N6O3.2C24H28ClFN6O3.C24H29ClN6O4.C24H28ClN5O3.C23H27ClFN7O3/c1-28-23(34)16-36-22-14-17-13-18(9-10-21(17)33(25(22)35)19-7-3-4-8-19)30-24-20(27)15-29-26(31-24)32-11-5-2-6-12-32;1-14(2)33-20-5-4-18(24(28)16(20)10-21(25(33)35)36-13-23(34)29-3)31-19-11-22(30-12-17(19)26)32-8-6-15(27)7-9-32;1-15(2)32-21-5-4-18(10-16(21)11-22(25(32)34)35-14-24(33)28-3)30-20-12-23(29-13-19(20)26)31-8-6-17(27)7-9-31;1-15(2)32-20-8-7-18(24(27)16(20)11-21(25(32)34)35-14-23(33)28-3)30-19-12-22(29-13-17(19)26)31-9-5-4-6-10-31;1-27-22(33)15-35-21-13-16-12-17(8-9-20(16)32(24(21)34)18-6-5-7-18)29-23-19(26)14-28-25(30-23)31-10-3-2-4-11-31;1-16(2)14-32-20-8-7-18(11-17(20)12-21(24(32)34)35-15-22(33)27-3)29-23-19(26)13-28-25(30-23)31-9-5-4-6-10-31;1-4-16(2)32-20-9-8-18(12-17(20)13-21(24(32)34)35-15-22(33)27-3)29-23-19(26)14-28-25(30-23)31-10-6-5-7-11-31;1-13(2)33-18-5-4-17(21(27)15(18)10-19(23(33)35)36-12-20(34)28-3)30-22-16(25)11-29-24(31-22)32-8-6-14(26)7-9-32;1-14(2)32-19-5-4-17(23(26)15(19)10-20(24(32)34)35-13-22(33)27-3)30-18-11-21(29-12-16(18)25)31-8-6-28-7-9-31;1-14(2)32-18-8-7-17(21(26)15(18)11-19(23(32)34)35-13-20(33)27-3)29-22-16(25)12-28-24(30-22)31-9-5-4-6-10-31;1-15(2)31-19-8-7-17(11-16(19)12-20(23(31)33)35-14-21(32)29(3)34)27-22-18(25)13-26-24(28-22)30-9-5-4-6-10-30;1-15(2)30-20-8-7-18(11-17(20)12-21(23(30)32)33-14-16(3)31)27-22-19(25)13-26-24(28-22)29-9-5-4-6-10-29;1-13(2)32-17-5-4-16(20(25)14(17)10-18(22(32)34)35-12-19(33)26-3)29-21-15(24)11-28-23(30-21)31-8-6-27-7-9-31/h9-10,13-15,19H,2-8,11-12,16H2,1H3,(H,28,34)(H,29,30,31);4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,29,34)(H,30,31);4-5,10-13,15,17H,6-9,14H2,1-3H3,(H,28,33)(H,29,30);7-8,11-13,15H,4-6,9-10,14H2,1-3H3,(H,28,33)(H,29,30);8-9,12-14,18H,2-7,10-11,15H2,1H3,(H,27,33)(H,28,29,30);7-8,11-13,16H,4-6,9-10,14-15H2,1-3H3,(H,27,33)(H,28,29,30);8-9,12-14,16H,4-7,10-11,15H2,1-3H3,(H,27,33)(H,28,29,30);4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,28,34)(H,29,30,31);4-5,10-12,14,28H,6-9,13H2,1-3H3,(H,27,33)(H,29,30);7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,27,33)(H,28,29,30);7-8,11-13,15,34H,4-6,9-10,14H2,1-3H3,(H,26,27,28);7-8,11-13,15H,4-6,9-10,14H2,1-3H3,(H,26,27,28);4-5,10-11,13,27H,6-9,12H2,1-3H3,(H,26,33)(H,28,29,30).
What are the key properties of 2-[1-butan-2-yl-6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)pyrimidin-4-yl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclopentyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-(2-methylpropyl)-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-hydroxy-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-(2-oxopropoxy)-1-propan-2-ylquinolin-2-one?
2-[1-butan-2-yl-6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)pyrimidin-4-yl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclopentyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-(2-methylpropyl)-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-hydroxy-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-(2-oxopropoxy)-1-propan-2-ylquinolin-2-one has a molecular weight of 6531.87 g/mol, XLogP of 52.52, 93 rotatable bonds, 27 hydrogen bond donors, and 103 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butan-2-yl-6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)-4-pyridinyl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[[5-chloro-2-(4-fluoropiperidin-1-yl)pyrimidin-4-yl]amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperazin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclopentyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-5-fluoro-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-(2-methylpropyl)-2-oxoquinolin-3-yl]oxy-N-methylacetamide;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-hydroxy-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-(2-oxopropoxy)-1-propan-2-ylquinolin-2-one is sourced from PubChem (CID 167624307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).