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

C146H172Cl5F4N37O18 — CID 167710868

IUPAC2-[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
SMILESCNC(=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(Nc3nc(N4CCCCC4)ncc3Cl)cc(F)c2n(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)ncc3F)ccc2n(C(C)C)c1=O
InChIInChI=1S/C26H31ClN6O3.C25H29ClN6O3.2C24H28ClFN6O3.C24H29FN6O3.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;1-27-22(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;1-14(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;1-14(2)32-21-15(10-19(23(32)34)35-13-20(33)27-3)9-16(11-18(21)26)29-22-17(25)12-28-24(30-22)31-7-5-4-6-8-31;1-15(2)31-19-8-7-17(11-16(19)12-20(23(31)33)34-14-21(32)26-3)28-22-18(25)13-27-24(29-22)30-9-5-4-6-10-30;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);8-9,12-14,18H,2-7,10-11,15H2,1H3,(H,27,33)(H,28,29,30);7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,27,33)(H,28,29,30);9-12,14H,4-8,13H2,1-3H3,(H,27,33)(H,28,29,30);7-8,11-13,15H,4-6,9-10,14H2,1-3H3,(H,26,32)(H,27,28,29);4-5,10-11,13,27H,6-9,12H2,1-3H3,(H,26,33)(H,28,29,30)
InChIKeyZUZCJEKAWDPNMB-UHFFFAOYSA-N
MW2986.48 g/mol
LogP22.31
Rot. Bonds42

About 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

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 (PubChem CID 167710868) has the molecular formula C146H172Cl5F4N37O18 and a molecular weight of 2986.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID167710868
Molecular FormulaC146H172Cl5F4N37O18
Molecular Weight2986.48 g/mol
Exact Mass2982.21
IUPAC Name2-[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
SMILESCNC(=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(Nc3nc(N4CCCCC4)ncc3Cl)cc(F)c2n(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)ncc3F)ccc2n(C(C)C)c1=O
InChIInChI=1S/C26H31ClN6O3.C25H29ClN6O3.2C24H28ClFN6O3.C24H29FN6O3.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;1-27-22(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;1-14(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;1-14(2)32-21-15(10-19(23(32)34)35-13-20(33)27-3)9-16(11-18(21)26)29-22-17(25)12-28-24(30-22)31-7-5-4-6-8-31;1-15(2)31-19-8-7-17(11-16(19)12-20(23(31)33)34-14-21(32)26-3)28-22-18(25)13-27-24(29-22)30-9-5-4-6-10-30;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);8-9,12-14,18H,2-7,10-11,15H2,1H3,(H,27,33)(H,28,29,30);7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,27,33)(H,28,29,30);9-12,14H,4-8,13H2,1-3H3,(H,27,33)(H,28,29,30);7-8,11-13,15H,4-6,9-10,14H2,1-3H3,(H,26,32)(H,27,28,29);4-5,10-11,13,27H,6-9,12H2,1-3H3,(H,26,33)(H,28,29,30)
InChIKeyZUZCJEKAWDPNMB-UHFFFAOYSA-N
XLogP22.31
TPSA620.31 Ų
H-Bond Donors13
H-Bond Acceptors49
Rotatable Bonds42
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002986.48
LogP ≤ 522.31
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1049

Analyze 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 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-[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
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]piperidine-4-carboxylic acid
CID 135137768
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
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-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-ethylacetamide
CID 166077300
2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(7-fluoro-1-methyl-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide
CID 171846822
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
2-[6-[[5-chloro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide
CID 165380040
2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;3-(7-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 171846882

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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(Nc3nc(N4CCCCC4)ncc3Cl)cc(F)c2n(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)ncc3F)ccc2n(C(C)C)c1=O.
What is the InChIKey of 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?
The InChIKey is ZUZCJEKAWDPNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN6O3.C25H29ClN6O3.2C24H28ClFN6O3.C24H29FN6O3.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;1-27-22(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;1-14(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;1-14(2)32-21-15(10-19(23(32)34)35-13-20(33)27-3)9-16(11-18(21)26)29-22-17(25)12-28-24(30-22)31-7-5-4-6-8-31;1-15(2)31-19-8-7-17(11-16(19)12-20(23(31)33)34-14-21(32)26-3)28-22-18(25)13-27-24(29-22)30-9-5-4-6-10-30;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);8-9,12-14,18H,2-7,10-11,15H2,1H3,(H,27,33)(H,28,29,30);7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,27,33)(H,28,29,30);9-12,14H,4-8,13H2,1-3H3,(H,27,33)(H,28,29,30);7-8,11-13,15H,4-6,9-10,14H2,1-3H3,(H,26,32)(H,27,28,29);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-[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?
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 has a molecular weight of 2986.48 g/mol, XLogP of 22.31, 42 rotatable bonds, 13 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167710868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).