[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile

C149H136Cl7F21N24O13 — CID 158257532

About [4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile

[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile (PubChem CID 158257532) has the molecular formula C149H136Cl7F21N24O13 and a molecular weight of 3118.01 g/mol. Its IUPAC name is [4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile.

Molecular Properties

• Compound Name: [4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile
• PubChem CID: 158257532
• Molecular Formula: C149H136Cl7F21N24O13
• Molecular Weight: 3118.01 g/mol
• Exact Mass: 3112.82
• IUPAC Name: [4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile
• SMILES: COc1nc2ccc(C(O)(c3c(C)nn(C)c3C)c3cnc(C)n3C)cc2c(Cl)c1OCC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(C#N)c1CC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1CCC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1CC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1CCC(C)(F)F.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CCC(C)(F)F
• InChI: InChI=1S/C25H23Cl2F2N3O2.2C25H22ClF5N4O2.C25H28ClF2N5O3.C25H20F5N5O2.C24H21Cl2F2N3O2/c1-24(28,29)11-10-18-22(27)19-12-16(6-9-20(19)31-23(18)34-3)25(33,21-13-30-14-32(21)2)15-4-7-17(26)8-5-15;1-23(27,28)9-8-16-21(26)17-10-14(4-6-18(17)34-22(16)37-3)24(36,20-12-32-13-35(20)2)15-5-7-19(33-11-15)25(29,30)31;1-23(27,28)8-6-16-21(26)17-10-14(4-5-18(17)34-22(16)37-3)24(36,20-12-32-13-35(20)2)15-7-9-33-19(11-15)25(29,30)31;1-13-20(14(2)33(6)31-13)25(34,19-11-29-15(3)32(19)5)16-8-9-18-17(10-16)21(26)22(23(30-18)35-7)36-12-24(4,27)28;1-23(26,27)9-17-18(10-31)16-8-14(4-6-19(16)34-22(17)37-3)24(36,21-12-32-13-35(21)2)15-5-7-20(33-11-15)25(28,29)30;1-23(27,28)11-18-21(26)17-10-15(6-9-19(17)30-22(18)33-3)24(32,20-12-29-13-31(20)2)14-4-7-16(25)8-5-14/h4-9,12-14,33H,10-11H2,1-3H3;4-7,10-13,36H,8-9H2,1-3H3;4-5,7,9-13,36H,6,8H2,1-3H3;8-11,34H,12H2,1-7H3;4-8,11-13,36H,9H2,1-3H3;4-10,12-13,32H,11H2,1-3H3
• InChIKey: GHLSTNCYCNNFID-UHFFFAOYSA-N
• XLogP: 33.11
• TPSA: 450.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 40
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3118.01
LogP ≤ 5	33.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?

The IUPAC name of [4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile (CID 158257532) is [4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile.

What is the SMILES notation for [4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?

The canonical SMILES for [4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile is COc1nc2ccc(C(O)(c3c(C)nn(C)c3C)c3cnc(C)n3C)cc2c(Cl)c1OCC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(C#N)c1CC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1CCC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1CC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1CCC(C)(F)F.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CCC(C)(F)F.

What is the InChIKey of [4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?

The InChIKey is GHLSTNCYCNNFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2F2N3O2.2C25H22ClF5N4O2.C25H28ClF2N5O3.C25H20F5N5O2.C24H21Cl2F2N3O2/c1-24(28,29)11-10-18-22(27)19-12-16(6-9-20(19)31-23(18)34-3)25(33,21-13-30-14-32(21)2)15-4-7-17(26)8-5-15;1-23(27,28)9-8-16-21(26)17-10-14(4-6-18(17)34-22(16)37-3)24(36,20-12-32-13-35(20)2)15-5-7-19(33-11-15)25(29,30)31;1-23(27,28)8-6-16-21(26)17-10-14(4-5-18(17)34-22(16)37-3)24(36,20-12-32-13-35(20)2)15-7-9-33-19(11-15)25(29,30)31;1-13-20(14(2)33(6)31-13)25(34,19-11-29-15(3)32(19)5)16-8-9-18-17(10-16)21(26)22(23(30-18)35-7)36-12-24(4,27)28;1-23(26,27)9-17-18(10-31)16-8-14(4-6-19(16)34-22(17)37-3)24(36,21-12-32-13-35(21)2)15-5-7-20(33-11-15)25(28,29)30;1-23(27,28)11-18-21(26)17-10-15(6-9-19(17)30-22(18)33-3)24(32,20-12-29-13-31(20)2)14-4-7-16(25)8-5-14/h4-9,12-14,33H,10-11H2,1-3H3;4-7,10-13,36H,8-9H2,1-3H3;4-5,7,9-13,36H,6,8H2,1-3H3;8-11,34H,12H2,1-7H3;4-8,11-13,36H,9H2,1-3H3;4-10,12-13,32H,11H2,1-3H3.

What are the key properties of [4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?

[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile has a molecular weight of 3118.01 g/mol, XLogP of 33.11, 40 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile is sourced from PubChem (CID 158257532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).