1-[4-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol

C156H137Cl6F5N18O12 — CID 158726490

About 1-[4-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol

1-[4-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol (PubChem CID 158726490) has the molecular formula C156H137Cl6F5N18O12 and a molecular weight of 2763.63 g/mol. Its IUPAC name is 1-[4-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol.

Molecular Properties

• Compound Name: 1-[4-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol
• PubChem CID: 158726490
• Molecular Formula: C156H137Cl6F5N18O12
• Molecular Weight: 2763.63 g/mol
• Exact Mass: 2758.87
• IUPAC Name: 1-[4-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol
• SMILES: COc1ccc(C(O)(c2cccnc2)c2ccc3nc(OC)c(Cc4ccc(-n5cccn5)cc4)c(Cl)c3c2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cccnc3)cc2c(Cl)c1Cc1ccc(-n2cccc2)cc1.COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3ccccn3)c3cncn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(F)cc1
• InChI: InChI=1S/C33H25Cl2N3O2.C33H33ClF2N2O3.C33H27ClN4O3.C29H25ClF2N4O2.C28H27ClFN5O2/c1-40-32-29(19-22-6-13-27(14-7-22)38-17-2-3-18-38)31(35)28-20-24(10-15-30(28)37-32)33(39,25-5-4-16-36-21-25)23-8-11-26(34)12-9-23;1-21(39)38-17-15-25(16-18-38)33(40,24-7-5-4-6-8-24)26-13-14-29-27(20-26)30(34)28(31(37-29)41-3)19-22-9-11-23(12-10-22)32(2,35)36;1-40-27-13-8-23(9-14-27)33(39,25-5-3-16-35-21-25)24-10-15-30-28(20-24)31(34)29(32(37-30)41-2)19-22-6-11-26(12-7-22)38-18-4-17-36-38;1-28(31,32)19-9-7-18(8-10-19)14-22-26(30)21-15-20(11-12-23(21)35-27(22)38-3)29(37,24-6-4-5-13-34-24)25-16-33-17-36(25)2;1-16-31-14-24(34(16)3)28(36,25-15-32-17(2)35(25)4)19-8-11-23-21(13-19)26(29)22(27(33-23)37-5)12-18-6-9-20(30)10-7-18/h2-18,20-21,39H,19H2,1H3;4-14,20,25,40H,15-19H2,1-3H3;3-18,20-21,39H,19H2,1-2H3;4-13,15-17,37H,14H2,1-3H3;6-11,13-15,36H,12H2,1-5H3
• InChIKey: IKOHKDAKSIEJSH-UHFFFAOYSA-N
• XLogP: 32.07
• TPSA: 356.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 35
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2763.63
LogP ≤ 5	32.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol?

The IUPAC name of 1-[4-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol (CID 158726490) is 1-[4-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol.

What is the SMILES notation for 1-[4-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol?

The canonical SMILES for 1-[4-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol is COc1ccc(C(O)(c2cccnc2)c2ccc3nc(OC)c(Cc4ccc(-n5cccn5)cc4)c(Cl)c3c2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cccnc3)cc2c(Cl)c1Cc1ccc(-n2cccc2)cc1.COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3ccccn3)c3cncn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(F)cc1.

What is the InChIKey of 1-[4-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol?

The InChIKey is IKOHKDAKSIEJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25Cl2N3O2.C33H33ClF2N2O3.C33H27ClN4O3.C29H25ClF2N4O2.C28H27ClFN5O2/c1-40-32-29(19-22-6-13-27(14-7-22)38-17-2-3-18-38)31(35)28-20-24(10-15-30(28)37-32)33(39,25-5-4-16-36-21-25)23-8-11-26(34)12-9-23;1-21(39)38-17-15-25(16-18-38)33(40,24-7-5-4-6-8-24)26-13-14-29-27(20-26)30(34)28(31(37-29)41-3)19-22-9-11-23(12-10-22)32(2,35)36;1-40-27-13-8-23(9-14-27)33(39,25-5-3-16-35-21-25)24-10-15-30-28(20-24)31(34)29(32(37-30)41-2)19-22-6-11-26(12-7-22)38-18-4-17-36-38;1-28(31,32)19-9-7-18(8-10-19)14-22-26(30)21-15-20(11-12-23(21)35-27(22)38-3)29(37,24-6-4-5-13-34-24)25-16-33-17-36(25)2;1-16-31-14-24(34(16)3)28(36,25-15-32-17(2)35(25)4)19-8-11-23-21(13-19)26(29)22(27(33-23)37-5)12-18-6-9-20(30)10-7-18/h2-18,20-21,39H,19H2,1H3;4-14,20,25,40H,15-19H2,1-3H3;3-18,20-21,39H,19H2,1-2H3;4-13,15-17,37H,14H2,1-3H3;6-11,13-15,36H,12H2,1-5H3.

What are the key properties of 1-[4-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol?

1-[4-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol has a molecular weight of 2763.63 g/mol, XLogP of 32.07, 35 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 158726490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).