[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]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

C126H117Cl5F5N15O10 — CID 158918412

About [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]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

[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]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 (PubChem CID 158918412) has the molecular formula C126H117Cl5F5N15O10 and a molecular weight of 2273.67 g/mol. Its IUPAC name is [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]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.

Molecular Properties

• Compound Name: [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]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
• PubChem CID: 158918412
• Molecular Formula: C126H117Cl5F5N15O10
• Molecular Weight: 2273.67 g/mol
• Exact Mass: 2269.75
• IUPAC Name: [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]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
• SMILES: COCCOc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(F)cc1.COc1nc2ccc(C(O)(c3ccc(F)cc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(F)cc1
• InChI: InChI=1S/C33H29Cl2N5O3.C32H31ClF2N4O2.C31H29ClF2N2O3.C30H28ClFN4O2/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;1-18-7-13-26(19(2)37-18)32(40,28-17-36-20(3)39(28)5)23-12-14-27-24(16-23)29(33)25(30(38-27)41-6)15-21-8-10-22(11-9-21)31(4,34)35;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;1-17-6-12-25(18(2)34-17)30(37,27-16-33-19(3)36(27)4)21-9-13-26-23(15-21)28(31)24(29(35-26)38-5)14-20-7-10-22(32)11-8-20/h3-15,19-21,41H,16-18H2,1-2H3;7-14,16-17,40H,15H2,1-6H3;3-12,18,22,38H,13-17H2,1-2H3;6-13,15-16,37H,14H2,1-5H3
• InChIKey: JHNGRYLCAUTRHG-UHFFFAOYSA-N
• XLogP: 25.52
• TPSA: 296.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2273.67
LogP ≤ 5	25.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

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]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]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?

The IUPAC name of [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]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 (CID 158918412) is [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]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.

What is the SMILES notation for [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]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?

The canonical SMILES for [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]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 is COCCOc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(F)cc1.COc1nc2ccc(C(O)(c3ccc(F)cc3)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]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]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?

The InChIKey is JHNGRYLCAUTRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29Cl2N5O3.C32H31ClF2N4O2.C31H29ClF2N2O3.C30H28ClFN4O2/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;1-18-7-13-26(19(2)37-18)32(40,28-17-36-20(3)39(28)5)23-12-14-27-24(16-23)29(33)25(30(38-27)41-6)15-21-8-10-22(11-9-21)31(4,34)35;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;1-17-6-12-25(18(2)34-17)30(37,27-16-33-19(3)36(27)4)21-9-13-26-23(15-21)28(31)24(29(35-26)38-5)14-20-7-10-22(32)11-8-20/h3-15,19-21,41H,16-18H2,1-2H3;7-14,16-17,40H,15H2,1-6H3;3-12,18,22,38H,13-17H2,1-2H3;6-13,15-16,37H,14H2,1-5H3.

What are the key properties of [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]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?

[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]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 has a molecular weight of 2273.67 g/mol, XLogP of 25.52, 29 rotatable bonds, 4 hydrogen bond donors, and 24 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]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(2,6-dimethyl-3-pyridinyl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]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 is sourced from PubChem (CID 158918412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).