[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-(2-methoxyethoxy)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile

C156H138Cl7F7N16O13 — CID 157325347

About [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-(2-methoxyethoxy)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile

[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-(2-methoxyethoxy)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile (PubChem CID 157325347) has the molecular formula C156H138Cl7F7N16O13 and a molecular weight of 2826.08 g/mol. Its IUPAC name is [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-(2-methoxyethoxy)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile.

Molecular Properties

• Compound Name: [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-(2-methoxyethoxy)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile
• PubChem CID: 157325347
• Molecular Formula: C156H138Cl7F7N16O13
• Molecular Weight: 2826.08 g/mol
• Exact Mass: 2820.83
• IUPAC Name: [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-(2-methoxyethoxy)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile
• SMILES: COCCOc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3ccc(F)cc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(F)cc1.COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(F)cc1
• InChI: InChI=1S/C33H29Cl2N5O3.C31H25ClF2N4O2.C31H29ClF2N2O3.C31H30ClFN2O3.C30H25Cl2F2N3O2/c1-39-21-36-20-30(39)33(41,23-6-9-25(34)10-7-23)24-8-13-29-27(19-24)31(35)28(32(38-29)43-17-16-42-2)18-22-4-11-26(12-5-22)40-15-3-14-37-40;1-30(33,34)20-6-4-19(5-7-20)14-25-26(16-35)24-15-22(10-13-27(24)37-29(25)40-3)31(39,28-17-36-18-38(28)2)21-8-11-23(32)12-9-21;1-19(37)36-15-13-22(14-16-36)31(38,21-5-10-25(34)11-6-21)23-7-12-28-26(18-23)29(32)27(30(35-28)39-2)17-20-3-8-24(33)9-4-20;1-20(36)35-16-14-23(15-17-35)31(37,22-6-4-3-5-7-22)24-10-13-28-26(19-24)29(32)27(30(34-28)38-2)18-21-8-11-25(33)12-9-21;1-29(33,34)19-6-4-18(5-7-19)14-24-27(32)23-15-21(10-13-25(23)36-28(24)39-3)30(38,26-16-35-17-37(26)2)20-8-11-22(31)12-9-20/h3-15,19-21,41H,16-18H2,1-2H3;4-13,15,17-18,39H,14H2,1-3H3;3-12,18,22,38H,13-17H2,1-2H3;3-13,19,23,37H,14-18H2,1-2H3;4-13,15-17,38H,14H2,1-3H3
• InChIKey: BEQNWENPQSOMSG-UHFFFAOYSA-N
• XLogP: 32.50
• TPSA: 356.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 36
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2826.08
LogP ≤ 5	32.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

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-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-(2-methoxyethoxy)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile?

The IUPAC name of [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-(2-methoxyethoxy)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile (CID 157325347) is [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-(2-methoxyethoxy)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile.

What is the SMILES notation for [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-(2-methoxyethoxy)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile?

The canonical SMILES for [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-(2-methoxyethoxy)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile is COCCOc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3ccc(F)cc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(F)cc1.COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(F)cc1.

What is the InChIKey of [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-(2-methoxyethoxy)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile?

The InChIKey is BEQNWENPQSOMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29Cl2N5O3.C31H25ClF2N4O2.C31H29ClF2N2O3.C31H30ClFN2O3.C30H25Cl2F2N3O2/c1-39-21-36-20-30(39)33(41,23-6-9-25(34)10-7-23)24-8-13-29-27(19-24)31(35)28(32(38-29)43-17-16-42-2)18-22-4-11-26(12-5-22)40-15-3-14-37-40;1-30(33,34)20-6-4-19(5-7-20)14-25-26(16-35)24-15-22(10-13-27(24)37-29(25)40-3)31(39,28-17-36-18-38(28)2)21-8-11-23(32)12-9-21;1-19(37)36-15-13-22(14-16-36)31(38,21-5-10-25(34)11-6-21)23-7-12-28-26(18-23)29(32)27(30(35-28)39-2)17-20-3-8-24(33)9-4-20;1-20(36)35-16-14-23(15-17-35)31(37,22-6-4-3-5-7-22)24-10-13-28-26(19-24)29(32)27(30(34-28)38-2)18-21-8-11-25(33)12-9-21;1-29(33,34)19-6-4-18(5-7-19)14-24-27(32)23-15-21(10-13-25(23)36-28(24)39-3)30(38,26-16-35-17-37(26)2)20-8-11-22(31)12-9-20/h3-15,19-21,41H,16-18H2,1-2H3;4-13,15,17-18,39H,14H2,1-3H3;3-12,18,22,38H,13-17H2,1-2H3;3-13,19,23,37H,14-18H2,1-2H3;4-13,15-17,38H,14H2,1-3H3.

What are the key properties of [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-(2-methoxyethoxy)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile?

[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-(2-methoxyethoxy)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile has a molecular weight of 2826.08 g/mol, XLogP of 32.50, 36 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-(2-methoxyethoxy)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile is sourced from PubChem (CID 157325347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).