[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile

C129H123Cl2F12N25O14 — CID 159668188

About [4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile

[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile (PubChem CID 159668188) has the molecular formula C129H123Cl2F12N25O14 and a molecular weight of 2546.45 g/mol. Its IUPAC name is [4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile.

Molecular Properties

• Compound Name: [4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile
• PubChem CID: 159668188
• Molecular Formula: C129H123Cl2F12N25O14
• Molecular Weight: 2546.45 g/mol
• Exact Mass: 2543.89
• IUPAC Name: [4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile
• SMILES: CCOc1c(OC)nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c1C#N.CCOc1c(OC)nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c1C#N.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(C#N)c1OCC1CC1.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1OCC1CC1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNCC1CCC(C(F)(F)F)CC1
• InChI: InChI=1S/C30H36ClF3N6O2.C26H22F3N5O3.C25H22ClF3N4O3.C24H20F3N5O3.C24H23N5O3/c1-17-36-15-25(39(17)3)29(41,26-16-37-18(2)40(26)4)21-10-11-24-22(12-21)27(31)23(28(38-24)42-5)14-35-13-19-6-8-20(9-7-19)30(32,33)34;1-34-14-31-12-22(34)25(35,17-7-8-32-21(10-17)26(27,28)29)16-5-6-20-18(9-16)19(11-30)23(24(33-20)36-2)37-13-15-3-4-15;1-33-13-30-11-20(33)24(34,16-7-8-31-19(10-16)25(27,28)29)15-5-6-18-17(9-15)21(26)22(23(32-18)35-2)36-12-14-3-4-14;1-4-35-21-17(11-28)16-9-14(5-6-18(16)31-22(21)34-3)23(33,20-12-29-13-32(20)2)15-7-8-30-19(10-15)24(25,26)27;1-5-32-22-19(11-25)18-10-16(8-9-20(18)28-23(22)31-4)24(30,21-13-26-14-29(21)3)17-7-6-15(2)27-12-17/h10-12,15-16,19-20,35,41H,6-9,13-14H2,1-5H3;5-10,12,14-15,35H,3-4,13H2,1-2H3;5-11,13-14,34H,3-4,12H2,1-2H3;5-10,12-13,33H,4H2,1-3H3;6-10,12-14,30H,5H2,1-4H3
• InChIKey: MTRJULKUVFOWNX-UHFFFAOYSA-N
• XLogP: 22.36
• TPSA: 490.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 34
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2546.45
LogP ≤ 5	22.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?

The IUPAC name of [4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile (CID 159668188) is [4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile.

What is the SMILES notation for [4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?

The canonical SMILES for [4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile is CCOc1c(OC)nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c1C#N.CCOc1c(OC)nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c1C#N.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(C#N)c1OCC1CC1.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1OCC1CC1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNCC1CCC(C(F)(F)F)CC1.

What is the InChIKey of [4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?

The InChIKey is MTRJULKUVFOWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36ClF3N6O2.C26H22F3N5O3.C25H22ClF3N4O3.C24H20F3N5O3.C24H23N5O3/c1-17-36-15-25(39(17)3)29(41,26-16-37-18(2)40(26)4)21-10-11-24-22(12-21)27(31)23(28(38-24)42-5)14-35-13-19-6-8-20(9-7-19)30(32,33)34;1-34-14-31-12-22(34)25(35,17-7-8-32-21(10-17)26(27,28)29)16-5-6-20-18(9-16)19(11-30)23(24(33-20)36-2)37-13-15-3-4-15;1-33-13-30-11-20(33)24(34,16-7-8-31-19(10-16)25(27,28)29)15-5-6-18-17(9-15)21(26)22(23(32-18)35-2)36-12-14-3-4-14;1-4-35-21-17(11-28)16-9-14(5-6-18(16)31-22(21)34-3)23(33,20-12-29-13-32(20)2)15-7-8-30-19(10-15)24(25,26)27;1-5-32-22-19(11-25)18-10-16(8-9-20(18)28-23(22)31-4)24(30,21-13-26-14-29(21)3)17-7-6-15(2)27-12-17/h10-12,15-16,19-20,35,41H,6-9,13-14H2,1-5H3;5-10,12,14-15,35H,3-4,13H2,1-2H3;5-11,13-14,34H,3-4,12H2,1-2H3;5-10,12-13,33H,4H2,1-3H3;6-10,12-14,30H,5H2,1-4H3.

What are the key properties of [4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?

[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile has a molecular weight of 2546.45 g/mol, XLogP of 22.36, 34 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile is sourced from PubChem (CID 159668188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).