[4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol

C114H138Cl4F6N26O8 — CID 158138339

About [4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol

[4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol (PubChem CID 158138339) has the molecular formula C114H138Cl4F6N26O8 and a molecular weight of 2256.33 g/mol. Its IUPAC name is [4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol.

Molecular Properties

• Compound Name: [4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
• PubChem CID: 158138339
• Molecular Formula: C114H138Cl4F6N26O8
• Molecular Weight: 2256.33 g/mol
• Exact Mass: 2252.98
• IUPAC Name: [4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
• SMILES: COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CN1CCC(n2ccc(C(C)(F)F)n2)CC1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNC1CCCC(C)C1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNCCCC(C)(F)F.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CN[C@@H](C)C(C)(F)F
• InChI: InChI=1S/C32H37ClF2N8O2.C29H37ClN6O2.C27H33ClF2N6O2.C26H31ClF2N6O2/c1-19-36-16-27(40(19)4)32(44,28-17-37-20(2)41(28)5)21-7-8-25-23(15-21)29(33)24(30(38-25)45-6)18-42-12-9-22(10-13-42)43-14-11-26(39-43)31(3,34)35;1-17-8-7-9-21(12-17)33-14-23-27(30)22-13-20(10-11-24(22)34-28(23)38-6)29(37,25-15-31-18(2)35(25)4)26-16-32-19(3)36(26)5;1-16-32-14-22(35(16)4)27(37,23-15-33-17(2)36(23)5)18-8-9-21-19(12-18)24(28)20(25(34-21)38-6)13-31-11-7-10-26(3,29)30;1-14(25(4,28)29)30-11-19-23(27)18-10-17(8-9-20(18)33-24(19)37-7)26(36,21-12-31-15(2)34(21)5)22-13-32-16(3)35(22)6/h7-8,11,14-17,22,44H,9-10,12-13,18H2,1-6H3;10-11,13,15-17,21,33,37H,7-9,12,14H2,1-6H3;8-9,12,14-15,31,37H,7,10-11,13H2,1-6H3;8-10,12-14,30,36H,11H2,1-7H3/t;;;14-/m...0/s1
• InChIKey: FTPZTQLYSHKZKG-UFVCJTMNSA-N
• XLogP: 19.53
• TPSA: 369.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 33
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2256.33
LogP ≤ 5	19.53
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol?

The IUPAC name of [4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol (CID 158138339) is [4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol.

What is the SMILES notation for [4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol?

The canonical SMILES for [4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol is COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CN1CCC(n2ccc(C(C)(F)F)n2)CC1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNC1CCCC(C)C1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNCCCC(C)(F)F.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CN[C@@H](C)C(C)(F)F.

What is the InChIKey of [4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol?

The InChIKey is FTPZTQLYSHKZKG-UFVCJTMNSA-N. The full InChI is InChI=1S/C32H37ClF2N8O2.C29H37ClN6O2.C27H33ClF2N6O2.C26H31ClF2N6O2/c1-19-36-16-27(40(19)4)32(44,28-17-37-20(2)41(28)5)21-7-8-25-23(15-21)29(33)24(30(38-25)45-6)18-42-12-9-22(10-13-42)43-14-11-26(39-43)31(3,34)35;1-17-8-7-9-21(12-17)33-14-23-27(30)22-13-20(10-11-24(22)34-28(23)38-6)29(37,25-15-31-18(2)35(25)4)26-16-32-19(3)36(26)5;1-16-32-14-22(35(16)4)27(37,23-15-33-17(2)36(23)5)18-8-9-21-19(12-18)24(28)20(25(34-21)38-6)13-31-11-7-10-26(3,29)30;1-14(25(4,28)29)30-11-19-23(27)18-10-17(8-9-20(18)33-24(19)37-7)26(36,21-12-31-15(2)34(21)5)22-13-32-16(3)35(22)6/h7-8,11,14-17,22,44H,9-10,12-13,18H2,1-6H3;10-11,13,15-17,21,33,37H,7-9,12,14H2,1-6H3;8-9,12,14-15,31,37H,7,10-11,13H2,1-6H3;8-10,12-14,30,36H,11H2,1-7H3/t;;;14-/m...0/s1.

What are the key properties of [4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol?

[4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol has a molecular weight of 2256.33 g/mol, XLogP of 19.53, 33 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol is sourced from PubChem (CID 158138339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).