1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(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

C112H114Cl5F6N11O10 — CID 158340444

About 1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(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;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(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 158340444) has the molecular formula C112H114Cl5F6N11O10 and a molecular weight of 2065.46 g/mol. Its IUPAC name is 1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(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;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(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: 158340444
• Molecular Formula: C112H114Cl5F6N11O10
• Molecular Weight: 2065.46 g/mol
• Exact Mass: 2061.71
• IUPAC Name: 1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(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)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1C1CCCCC1.COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1CC1CCCCC1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(CN3CCCCC3)c(Cl)c2c1
• InChI: InChI=1S/C31H37ClN2O3.C30H35ClN2O3.C26H25Cl3N4O.C25H17F6N3O3/c1-21(35)34-17-15-24(16-18-34)31(36,23-11-7-4-8-12-23)25-13-14-28-26(20-25)29(32)27(30(33-28)37-2)19-22-9-5-3-6-10-22;1-20(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;1-32-16-30-14-23(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/h4,7-8,11-14,20,22,24,36H,3,5-6,9-10,15-19H2,1-2H3;4,7-8,11-14,19,21,23,35H,3,5-6,9-10,15-18H2,1-2H3;5-10,13-14,16,34H,2-4,11-12,15H2,1H3;3-13,36H,2H2,1H3
• InChIKey: GRCDLESBCJJXRY-UHFFFAOYSA-N
• XLogP: 24.67
• TPSA: 264.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2065.46
LogP ≤ 5	24.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

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;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(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;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(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 158340444) is 1-[4-[(4-chloro-3-cyclohexyl-2-methoxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(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;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(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;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(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)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1C1CCCCC1.COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=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;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(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 GRCDLESBCJJXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37ClN2O3.C30H35ClN2O3.C26H25Cl3N4O.C25H17F6N3O3/c1-21(35)34-17-15-24(16-18-34)31(36,23-11-7-4-8-12-23)25-13-14-28-26(20-25)29(32)27(30(33-28)37-2)19-22-9-5-3-6-10-22;1-20(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;1-32-16-30-14-23(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/h4,7-8,11-14,20,22,24,36H,3,5-6,9-10,15-19H2,1-2H3;4,7-8,11-14,19,21,23,35H,3,5-6,9-10,15-18H2,1-2H3;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;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(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;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(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 2065.46 g/mol, XLogP of 24.67, 21 rotatable bonds, 4 hydrogen bond donors, and 19 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;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(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 158340444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).