[4-(azetidin-1-yl)-2-chloro-3-(2,2-difluoropropyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;(3-methylimidazol-4-yl)-(2,3,4-triethylquinolin-6-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol

C145H140Cl4F18N28O11 — CID 159123104

About [4-(azetidin-1-yl)-2-chloro-3-(2,2-difluoropropyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;(3-methylimidazol-4-yl)-(2,3,4-triethylquinolin-6-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol

[4-(azetidin-1-yl)-2-chloro-3-(2,2-difluoropropyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;(3-methylimidazol-4-yl)-(2,3,4-triethylquinolin-6-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 159123104) has the molecular formula C145H140Cl4F18N28O11 and a molecular weight of 2934.68 g/mol. Its IUPAC name is [4-(azetidin-1-yl)-2-chloro-3-(2,2-difluoropropyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;(3-methylimidazol-4-yl)-(2,3,4-triethylquinolin-6-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

• Compound Name: [4-(azetidin-1-yl)-2-chloro-3-(2,2-difluoropropyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;(3-methylimidazol-4-yl)-(2,3,4-triethylquinolin-6-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
• PubChem CID: 159123104
• Molecular Formula: C145H140Cl4F18N28O11
• Molecular Weight: 2934.68 g/mol
• Exact Mass: 2930.97
• IUPAC Name: [4-(azetidin-1-yl)-2-chloro-3-(2,2-difluoropropyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;(3-methylimidazol-4-yl)-(2,3,4-triethylquinolin-6-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
• SMILES: CCc1c(OC)nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c1Cl.CCc1c(OC)nc2ccc(C(O)(c3cnnn3C)C3CN(C(C)=O)C3)cc2c1Cl.CCc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(CC)c1CC.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)c1CC(C)(F)F.Cc1ncc(C(O)(c2ccc3nc(Cl)c(CC(C)(F)F)c(N4CCC4)c3c2)c2cnc(C)n2C)n1C
• InChI: InChI=1S/C26H29ClF2N6O.C26H27F3N4O.C25H20F5N5O2.C24H20ClF5N4O2.C23H20ClF3N4O2.C21H24ClN5O3/c1-15-30-13-21(33(15)4)26(36,22-14-31-16(2)34(22)5)17-7-8-20-18(11-17)23(35-9-6-10-35)19(24(27)32-20)12-25(3,28)29;1-5-18-19(6-2)21(7-3)32-22-9-8-16(12-20(18)22)25(34,24-14-30-15-33(24)4)17-10-11-31-23(13-17)26(27,28)29;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;1-22(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;1-4-15-20(24)16-9-13(5-6-17(16)30-21(15)33-3)22(32,19-11-28-12-31(19)2)14-7-8-29-18(10-14)23(25,26)27;1-5-15-19(22)16-8-13(6-7-17(16)24-20(15)30-4)21(29,18-9-23-25-26(18)3)14-10-27(11-14)12(2)28/h7-8,11,13-14,36H,6,9-10,12H2,1-5H3;8-15,34H,5-7H2,1-4H3;4-8,11-13,36H,9H2,1-3H3;4-8,10-12,35H,9H2,1-3H3;5-12,32H,4H2,1-3H3;6-9,14,29H,5,10-11H2,1-4H3
• InChIKey: KFYDVFSLMXGJEI-UHFFFAOYSA-N
• XLogP: 27.48
• TPSA: 472.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 34
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2934.68
LogP ≤ 5	27.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-1-yl)-2-chloro-3-(2,2-difluoropropyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;(3-methylimidazol-4-yl)-(2,3,4-triethylquinolin-6-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?

The IUPAC name of [4-(azetidin-1-yl)-2-chloro-3-(2,2-difluoropropyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;(3-methylimidazol-4-yl)-(2,3,4-triethylquinolin-6-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol (CID 159123104) is [4-(azetidin-1-yl)-2-chloro-3-(2,2-difluoropropyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;(3-methylimidazol-4-yl)-(2,3,4-triethylquinolin-6-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol.

What is the SMILES notation for [4-(azetidin-1-yl)-2-chloro-3-(2,2-difluoropropyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;(3-methylimidazol-4-yl)-(2,3,4-triethylquinolin-6-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?

The canonical SMILES for [4-(azetidin-1-yl)-2-chloro-3-(2,2-difluoropropyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;(3-methylimidazol-4-yl)-(2,3,4-triethylquinolin-6-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol is CCc1c(OC)nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c1Cl.CCc1c(OC)nc2ccc(C(O)(c3cnnn3C)C3CN(C(C)=O)C3)cc2c1Cl.CCc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(CC)c1CC.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)c1CC(C)(F)F.Cc1ncc(C(O)(c2ccc3nc(Cl)c(CC(C)(F)F)c(N4CCC4)c3c2)c2cnc(C)n2C)n1C.

What is the InChIKey of [4-(azetidin-1-yl)-2-chloro-3-(2,2-difluoropropyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;(3-methylimidazol-4-yl)-(2,3,4-triethylquinolin-6-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?

The InChIKey is KFYDVFSLMXGJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClF2N6O.C26H27F3N4O.C25H20F5N5O2.C24H20ClF5N4O2.C23H20ClF3N4O2.C21H24ClN5O3/c1-15-30-13-21(33(15)4)26(36,22-14-31-16(2)34(22)5)17-7-8-20-18(11-17)23(35-9-6-10-35)19(24(27)32-20)12-25(3,28)29;1-5-18-19(6-2)21(7-3)32-22-9-8-16(12-20(18)22)25(34,24-14-30-15-33(24)4)17-10-11-31-23(13-17)26(27,28)29;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;1-22(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;1-4-15-20(24)16-9-13(5-6-17(16)30-21(15)33-3)22(32,19-11-28-12-31(19)2)14-7-8-29-18(10-14)23(25,26)27;1-5-15-19(22)16-8-13(6-7-17(16)24-20(15)30-4)21(29,18-9-23-25-26(18)3)14-10-27(11-14)12(2)28/h7-8,11,13-14,36H,6,9-10,12H2,1-5H3;8-15,34H,5-7H2,1-4H3;4-8,11-13,36H,9H2,1-3H3;4-8,10-12,35H,9H2,1-3H3;5-12,32H,4H2,1-3H3;6-9,14,29H,5,10-11H2,1-4H3.

What are the key properties of [4-(azetidin-1-yl)-2-chloro-3-(2,2-difluoropropyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;(3-methylimidazol-4-yl)-(2,3,4-triethylquinolin-6-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?

[4-(azetidin-1-yl)-2-chloro-3-(2,2-difluoropropyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;(3-methylimidazol-4-yl)-(2,3,4-triethylquinolin-6-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 2934.68 g/mol, XLogP of 27.48, 34 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(azetidin-1-yl)-2-chloro-3-(2,2-difluoropropyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;(3-methylimidazol-4-yl)-(2,3,4-triethylquinolin-6-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 159123104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).