1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;[4-chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(1,1-dioxothian-4-yl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-(piperidin-1-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;ethyl 6-[hydroxy(dipyridin-3-yl)methyl]-2,4-bis(trifluoromethyl)quinoline-3-carboxylate

C164H174Cl7F8N23O17S2 — CID 160966374

About 1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;[4-chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(1,1-dioxothian-4-yl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-(piperidin-1-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;ethyl 6-[hydroxy(dipyridin-3-yl)methyl]-2,4-bis(trifluoromethyl)quinoline-3-carboxylate

1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;[4-chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(1,1-dioxothian-4-yl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-(piperidin-1-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;ethyl 6-[hydroxy(dipyridin-3-yl)methyl]-2,4-bis(trifluoromethyl)quinoline-3-carboxylate (PubChem CID 160966374) has the molecular formula C164H174Cl7F8N23O17S2 and a molecular weight of 3203.63 g/mol. Its IUPAC name is 1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;[4-chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(1,1-dioxothian-4-yl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-(piperidin-1-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;ethyl 6-[hydroxy(dipyridin-3-yl)methyl]-2,4-bis(trifluoromethyl)quinoline-3-carboxylate.

Molecular Properties

• Compound Name: 1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;[4-chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(1,1-dioxothian-4-yl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-(piperidin-1-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;ethyl 6-[hydroxy(dipyridin-3-yl)methyl]-2,4-bis(trifluoromethyl)quinoline-3-carboxylate
• PubChem CID: 160966374
• Molecular Formula: C164H174Cl7F8N23O17S2
• Molecular Weight: 3203.63 g/mol
• Exact Mass: 3198.06
• IUPAC Name: 1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;[4-chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(1,1-dioxothian-4-yl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-(piperidin-1-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;ethyl 6-[hydroxy(dipyridin-3-yl)methyl]-2,4-bis(trifluoromethyl)quinoline-3-carboxylate
• SMILES: CCOC(=O)c1c(C(F)(F)F)nc2ccc(C(O)(c3cccnc3)c3cccnc3)cc2c1C(F)(F)F.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC1CCC(F)(F)CC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC1CCS(=O)(=O)CC1.COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1C1CCCCC1.COc1nc2ccc(C(O)(c3cncn3C)C3CCN(S(C)(=O)=O)CC3)cc2c(Cl)c1CC1CCCCC1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(CN3CCCCC3)c(Cl)c2c1
• InChI: InChI=1S/C30H35ClN2O3.C28H30ClF2N5O2.C28H37ClN4O4S.C27H30ClN5O4S.C26H25Cl3N4O.C25H17F6N3O3/c1-20(34)33-17-15-23(16-18-33)30(35,22-11-7-4-8-12-22)24-13-14-26-25(19-24)28(31)27(29(32-26)36-2)21-9-5-3-6-10-21;1-16-5-7-22(17(2)33-16)28(37,24-15-32-35-36(24)3)19-6-8-23-20(14-19)25(29)21(26(34-23)38-4)13-18-9-11-27(30,31)12-10-18;1-32-18-30-17-25(32)28(34,20-11-13-33(14-12-20)38(3,35)36)21-9-10-24-22(16-21)26(29)23(27(31-24)37-2)15-19-7-5-4-6-8-19;1-16-5-7-22(17(2)30-16)27(34,24-15-29-32-33(24)3)19-6-8-23-20(14-19)25(28)21(26(31-23)37-4)13-18-9-11-38(35,36)12-10-18;1-32-16-30-14-23(32)26(34,17-5-8-19(27)9-6-17)18-7-10-22-20(13-18)24(28)21(25(29)31-22)15-33-11-3-2-4-12-33;1-2-37-22(35)19-20(24(26,27)28)17-11-14(7-8-18(17)34-21(19)25(29,30)31)23(36,15-5-3-9-32-12-15)16-6-4-10-33-13-16/h4,7-8,11-14,19,21,23,35H,3,5-6,9-10,15-18H2,1-2H3;5-8,14-15,18,37H,9-13H2,1-4H3;9-10,16-20,34H,4-8,11-15H2,1-3H3;5-8,14-15,18,34H,9-13H2,1-4H3;5-10,13-14,16,34H,2-4,11-12,15H2,1H3;3-13,36H,2H2,1H3
• InChIKey: SXRIBMFAYKBJSY-UHFFFAOYSA-N
• XLogP: 32.20
• TPSA: 505.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 34
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3203.63
LogP ≤ 5	32.20
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;[4-chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(1,1-dioxothian-4-yl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-(piperidin-1-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;ethyl 6-[hydroxy(dipyridin-3-yl)methyl]-2,4-bis(trifluoromethyl)quinoline-3-carboxylate?

The IUPAC name of 1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;[4-chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(1,1-dioxothian-4-yl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-(piperidin-1-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;ethyl 6-[hydroxy(dipyridin-3-yl)methyl]-2,4-bis(trifluoromethyl)quinoline-3-carboxylate (CID 160966374) is 1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;[4-chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(1,1-dioxothian-4-yl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-(piperidin-1-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;ethyl 6-[hydroxy(dipyridin-3-yl)methyl]-2,4-bis(trifluoromethyl)quinoline-3-carboxylate.

What is the SMILES notation for 1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;[4-chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(1,1-dioxothian-4-yl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-(piperidin-1-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;ethyl 6-[hydroxy(dipyridin-3-yl)methyl]-2,4-bis(trifluoromethyl)quinoline-3-carboxylate?

The canonical SMILES for 1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;[4-chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(1,1-dioxothian-4-yl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-(piperidin-1-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;ethyl 6-[hydroxy(dipyridin-3-yl)methyl]-2,4-bis(trifluoromethyl)quinoline-3-carboxylate is CCOC(=O)c1c(C(F)(F)F)nc2ccc(C(O)(c3cccnc3)c3cccnc3)cc2c1C(F)(F)F.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC1CCC(F)(F)CC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC1CCS(=O)(=O)CC1.COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1C1CCCCC1.COc1nc2ccc(C(O)(c3cncn3C)C3CCN(S(C)(=O)=O)CC3)cc2c(Cl)c1CC1CCCCC1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(CN3CCCCC3)c(Cl)c2c1.

What is the InChIKey of 1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;[4-chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(1,1-dioxothian-4-yl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-(piperidin-1-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;ethyl 6-[hydroxy(dipyridin-3-yl)methyl]-2,4-bis(trifluoromethyl)quinoline-3-carboxylate?

The InChIKey is SXRIBMFAYKBJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN2O3.C28H30ClF2N5O2.C28H37ClN4O4S.C27H30ClN5O4S.C26H25Cl3N4O.C25H17F6N3O3/c1-20(34)33-17-15-23(16-18-33)30(35,22-11-7-4-8-12-22)24-13-14-26-25(19-24)28(31)27(29(32-26)36-2)21-9-5-3-6-10-21;1-16-5-7-22(17(2)33-16)28(37,24-15-32-35-36(24)3)19-6-8-23-20(14-19)25(29)21(26(34-23)38-4)13-18-9-11-27(30,31)12-10-18;1-32-18-30-17-25(32)28(34,20-11-13-33(14-12-20)38(3,35)36)21-9-10-24-22(16-21)26(29)23(27(31-24)37-2)15-19-7-5-4-6-8-19;1-16-5-7-22(17(2)30-16)27(34,24-15-29-32-33(24)3)19-6-8-23-20(14-19)25(28)21(26(31-23)37-4)13-18-9-11-38(35,36)12-10-18;1-32-16-30-14-23(32)26(34,17-5-8-19(27)9-6-17)18-7-10-22-20(13-18)24(28)21(25(29)31-22)15-33-11-3-2-4-12-33;1-2-37-22(35)19-20(24(26,27)28)17-11-14(7-8-18(17)34-21(19)25(29,30)31)23(36,15-5-3-9-32-12-15)16-6-4-10-33-13-16/h4,7-8,11-14,19,21,23,35H,3,5-6,9-10,15-18H2,1-2H3;5-8,14-15,18,37H,9-13H2,1-4H3;9-10,16-20,34H,4-8,11-15H2,1-3H3;5-8,14-15,18,34H,9-13H2,1-4H3;5-10,13-14,16,34H,2-4,11-12,15H2,1H3;3-13,36H,2H2,1H3.

What are the key properties of 1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;[4-chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(1,1-dioxothian-4-yl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-(piperidin-1-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;ethyl 6-[hydroxy(dipyridin-3-yl)methyl]-2,4-bis(trifluoromethyl)quinoline-3-carboxylate?

1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;[4-chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(1,1-dioxothian-4-yl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-(piperidin-1-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;ethyl 6-[hydroxy(dipyridin-3-yl)methyl]-2,4-bis(trifluoromethyl)quinoline-3-carboxylate has a molecular weight of 3203.63 g/mol, XLogP of 32.20, 34 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;[4-chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(1,1-dioxothian-4-yl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-(piperidin-1-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;ethyl 6-[hydroxy(dipyridin-3-yl)methyl]-2,4-bis(trifluoromethyl)quinoline-3-carboxylate is sourced from PubChem (CID 160966374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).