6-[[2-(1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)-5-chloropyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;7-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-[1-(methylamino)ethenyl]-4,5-dihydro-3H-1-benzazepin-2-one;6-[(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one

C119H142Cl5N29O16 — CID 167704113

IUPAC6-[[2-(1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)-5-chloropyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;7-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-[1-(methylamino)ethenyl]-4,5-dihydro-3H-1-benzazepin-2-one;6-[(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one
SMILESC=C(NC)C1CC(=O)N(C)c2ccc(Nc3nc(N4CCN(C)CC4)ncc3Cl)cc2C1.CCC(=O)COc1cc2cc(Nc3nc(N4CCN5CCNCC5C4)ncc3Cl)ccc2n(C)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCOC(C)C4)ncc3Cl)ccc2n(CC)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCOCC4)ncc3Cl)ccc2n(CC)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCO[C@H](C)C4)ncc3Cl)ccc2n(CC)c1=O
InChIInChI=1S/C25H30ClN7O3.2C24H28ClN5O4.C23H30ClN7O.C23H26ClN5O4/c1-3-19(34)15-36-22-11-16-10-17(4-5-21(16)31(2)24(22)35)29-23-20(26)13-28-25(30-23)33-9-8-32-7-6-27-12-18(32)14-33;2*1-4-18(31)14-34-21-11-16-10-17(6-7-20(16)30(5-2)23(21)32)27-22-19(25)12-26-24(28-22)29-8-9-33-15(3)13-29;1-15(25-2)16-11-17-12-18(5-6-20(17)30(4)21(32)13-16)27-22-19(24)14-26-23(28-22)31-9-7-29(3)8-10-31;1-3-17(30)14-33-20-12-15-11-16(5-6-19(15)29(4-2)22(20)31)26-21-18(24)13-25-23(27-21)28-7-9-32-10-8-28/h4-5,10-11,13,18,27H,3,6-9,12,14-15H2,1-2H3,(H,28,29,30);2*6-7,10-12,15H,4-5,8-9,13-14H2,1-3H3,(H,26,27,28);5-6,12,14,16,25H,1,7-11,13H2,2-4H3,(H,26,27,28);5-6,11-13H,3-4,7-10,14H2,1-2H3,(H,25,26,27)/t;15-;;;/m.1.../s1
InChIKeyYVOBQCOAOPDOHB-DGBODPBGSA-N
MW2411.90 g/mol
LogP16.05
Rot. Bonds36

About 6-[[2-(1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)-5-chloropyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;7-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-[1-(methylamino)ethenyl]-4,5-dihydro-3H-1-benzazepin-2-one;6-[(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one

6-[[2-(1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)-5-chloropyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;7-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-[1-(methylamino)ethenyl]-4,5-dihydro-3H-1-benzazepin-2-one;6-[(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one (PubChem CID 167704113) has the molecular formula C119H142Cl5N29O16 and a molecular weight of 2411.90 g/mol. Its IUPAC name is 6-[[2-(1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)-5-chloropyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;7-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-[1-(methylamino)ethenyl]-4,5-dihydro-3H-1-benzazepin-2-one;6-[(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one.

Molecular Properties

Compound Name6-[[2-(1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)-5-chloropyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;7-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-[1-(methylamino)ethenyl]-4,5-dihydro-3H-1-benzazepin-2-one;6-[(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one
PubChem CID167704113
Molecular FormulaC119H142Cl5N29O16
Molecular Weight2411.90 g/mol
Exact Mass2407.96
IUPAC Name6-[[2-(1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)-5-chloropyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;7-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-[1-(methylamino)ethenyl]-4,5-dihydro-3H-1-benzazepin-2-one;6-[(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one
SMILESC=C(NC)C1CC(=O)N(C)c2ccc(Nc3nc(N4CCN(C)CC4)ncc3Cl)cc2C1.CCC(=O)COc1cc2cc(Nc3nc(N4CCN5CCNCC5C4)ncc3Cl)ccc2n(C)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCOC(C)C4)ncc3Cl)ccc2n(CC)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCOCC4)ncc3Cl)ccc2n(CC)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCO[C@H](C)C4)ncc3Cl)ccc2n(CC)c1=O
InChIInChI=1S/C25H30ClN7O3.2C24H28ClN5O4.C23H30ClN7O.C23H26ClN5O4/c1-3-19(34)15-36-22-11-16-10-17(4-5-21(16)31(2)24(22)35)29-23-20(26)13-28-25(30-23)33-9-8-32-7-6-27-12-18(32)14-33;2*1-4-18(31)14-34-21-11-16-10-17(6-7-20(16)30(5-2)23(21)32)27-22-19(25)12-26-24(28-22)29-8-9-33-15(3)13-29;1-15(25-2)16-11-17-12-18(5-6-20(17)30(4)21(32)13-16)27-22-19(24)14-26-23(28-22)31-9-7-29(3)8-10-31;1-3-17(30)14-33-20-12-15-11-16(5-6-19(15)29(4-2)22(20)31)26-21-18(24)13-25-23(27-21)28-7-9-32-10-8-28/h4-5,10-11,13,18,27H,3,6-9,12,14-15H2,1-2H3,(H,28,29,30);2*6-7,10-12,15H,4-5,8-9,13-14H2,1-3H3,(H,26,27,28);5-6,12,14,16,25H,1,7-11,13H2,2-4H3,(H,26,27,28);5-6,11-13H,3-4,7-10,14H2,1-2H3,(H,25,26,27)/t;15-;;;/m.1.../s1
InChIKeyYVOBQCOAOPDOHB-DGBODPBGSA-N
XLogP16.05
TPSA476.99 Ų
H-Bond Donors7
H-Bond Acceptors44
Rotatable Bonds36
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002411.90
LogP ≤ 516.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1044

Analyze 6-[[2-(1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)-5-chloropyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;7-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-[1-(methylamino)ethenyl]-4,5-dihydro-3H-1-benzazepin-2-one;6-[(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)-5-chloropyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;7-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-[1-(methylamino)ethenyl]-4,5-dihydro-3H-1-benzazepin-2-one;6-[(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one?
The IUPAC name of 6-[[2-(1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)-5-chloropyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;7-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-[1-(methylamino)ethenyl]-4,5-dihydro-3H-1-benzazepin-2-one;6-[(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one (CID 167704113) is 6-[[2-(1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)-5-chloropyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;7-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-[1-(methylamino)ethenyl]-4,5-dihydro-3H-1-benzazepin-2-one;6-[(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one.
What is the SMILES notation for 6-[[2-(1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)-5-chloropyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;7-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-[1-(methylamino)ethenyl]-4,5-dihydro-3H-1-benzazepin-2-one;6-[(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one?
The canonical SMILES for 6-[[2-(1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)-5-chloropyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;7-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-[1-(methylamino)ethenyl]-4,5-dihydro-3H-1-benzazepin-2-one;6-[(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one is C=C(NC)C1CC(=O)N(C)c2ccc(Nc3nc(N4CCN(C)CC4)ncc3Cl)cc2C1.CCC(=O)COc1cc2cc(Nc3nc(N4CCN5CCNCC5C4)ncc3Cl)ccc2n(C)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCOC(C)C4)ncc3Cl)ccc2n(CC)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCOCC4)ncc3Cl)ccc2n(CC)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCO[C@H](C)C4)ncc3Cl)ccc2n(CC)c1=O.
What is the InChIKey of 6-[[2-(1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)-5-chloropyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;7-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-[1-(methylamino)ethenyl]-4,5-dihydro-3H-1-benzazepin-2-one;6-[(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one?
The InChIKey is YVOBQCOAOPDOHB-DGBODPBGSA-N. The full InChI is InChI=1S/C25H30ClN7O3.2C24H28ClN5O4.C23H30ClN7O.C23H26ClN5O4/c1-3-19(34)15-36-22-11-16-10-17(4-5-21(16)31(2)24(22)35)29-23-20(26)13-28-25(30-23)33-9-8-32-7-6-27-12-18(32)14-33;2*1-4-18(31)14-34-21-11-16-10-17(6-7-20(16)30(5-2)23(21)32)27-22-19(25)12-26-24(28-22)29-8-9-33-15(3)13-29;1-15(25-2)16-11-17-12-18(5-6-20(17)30(4)21(32)13-16)27-22-19(24)14-26-23(28-22)31-9-7-29(3)8-10-31;1-3-17(30)14-33-20-12-15-11-16(5-6-19(15)29(4-2)22(20)31)26-21-18(24)13-25-23(27-21)28-7-9-32-10-8-28/h4-5,10-11,13,18,27H,3,6-9,12,14-15H2,1-2H3,(H,28,29,30);2*6-7,10-12,15H,4-5,8-9,13-14H2,1-3H3,(H,26,27,28);5-6,12,14,16,25H,1,7-11,13H2,2-4H3,(H,26,27,28);5-6,11-13H,3-4,7-10,14H2,1-2H3,(H,25,26,27)/t;15-;;;/m.1.../s1.
What are the key properties of 6-[[2-(1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)-5-chloropyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;7-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-[1-(methylamino)ethenyl]-4,5-dihydro-3H-1-benzazepin-2-one;6-[(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one?
6-[[2-(1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)-5-chloropyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;7-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-[1-(methylamino)ethenyl]-4,5-dihydro-3H-1-benzazepin-2-one;6-[(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one has a molecular weight of 2411.90 g/mol, XLogP of 16.05, 36 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)-5-chloropyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;7-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-[1-(methylamino)ethenyl]-4,5-dihydro-3H-1-benzazepin-2-one;6-[(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one is sourced from PubChem (CID 167704113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).