[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

C74H71Cl4F9N12O7 — CID 158743050

About [4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 158743050) has the molecular formula C74H71Cl4F9N12O7 and a molecular weight of 1553.25 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-(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]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

• Compound Name: [4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
• PubChem CID: 158743050
• Molecular Formula: C74H71Cl4F9N12O7
• Molecular Weight: 1553.25 g/mol
• Exact Mass: 1550.42
• IUPAC Name: [4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
• 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(Cl)c1CC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1CCC(C)(F)F
• InChI: InChI=1S/C25H23Cl2F2N3O2.C25H28ClF2N5O3.C24H20ClF5N4O2/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;1-13-20(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;1-22(26,27)9-16-20(25)15-8-13(4-6-17(15)33-21(16)36-3)23(35,19-11-31-12-34(19)2)14-5-7-18(32-10-14)24(28,29)30/h4-9,12-14,33H,10-11H2,1-3H3;8-11,34H,12H2,1-7H3;4-8,10-12,35H,9H2,1-3H3
• InChIKey: IMNSPECDKQWHLK-UHFFFAOYSA-N
• XLogP: 16.29
• TPSA: 220.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1553.25
LogP ≤ 5	16.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

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-(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]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

The IUPAC name of [4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (CID 158743050) is [4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

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-(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]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

The canonical SMILES for [4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol 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(Cl)c1CC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)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-(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]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

The InChIKey is IMNSPECDKQWHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2F2N3O2.C25H28ClF2N5O3.C24H20ClF5N4O2/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;1-13-20(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;1-22(26,27)9-16-20(25)15-8-13(4-6-17(15)33-21(16)36-3)23(35,19-11-31-12-34(19)2)14-5-7-18(32-10-14)24(28,29)30/h4-9,12-14,33H,10-11H2,1-3H3;8-11,34H,12H2,1-7H3;4-8,10-12,35H,9H2,1-3H3.

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-(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]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

[4-chloro-3-(3,3-difluorobutyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 1553.25 g/mol, XLogP of 16.29, 20 rotatable bonds, 3 hydrogen bond donors, and 19 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-(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]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 158743050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).