4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile

C153H128Cl6F3N31O10 — CID 158073925

About 4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile

4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile (PubChem CID 158073925) has the molecular formula C153H128Cl6F3N31O10 and a molecular weight of 2830.63 g/mol. Its IUPAC name is 4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile.

Molecular Properties

• Compound Name: 4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile
• PubChem CID: 158073925
• Molecular Formula: C153H128Cl6F3N31O10
• Molecular Weight: 2830.63 g/mol
• Exact Mass: 2825.85
• IUPAC Name: 4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile
• SMILES: COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cncn2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(C#N)cc1.COc1nc2ccc(C(O)(c3cncn3C)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(-n2cccc2)cc1.COc1nc2ccc(C(O)(c3cnnn3C)c3cnnn3C)cc2c(Cl)c1Cc1ccc(-n2cccc2)cc1.Cc1cc(C(O)(c2ccc(C(F)(F)F)nc2)c2cncn2C)cc2c(C#N)c(Cc3ccc(-n4cccn4)cc3)c(C#N)nc12
• InChI: InChI=1S/C33H34ClN5O3.C33H23F3N8O.C30H24Cl2N6O2.C29H22Cl2N4O2.C28H25ClN8O2/c1-22(40)38-16-12-24(13-17-38)33(41,30-20-35-21-37(30)2)25-8-11-29-27(19-25)31(34)28(32(36-29)42-3)18-23-6-9-26(10-7-23)39-14-4-5-15-39;1-20-12-23(32(45,30-18-39-19-43(30)2)22-6-9-29(40-17-22)33(34,35)36)14-26-27(15-37)25(28(16-38)42-31(20)26)13-21-4-7-24(8-5-21)44-11-3-10-41-44;1-37-17-33-15-27(37)30(39,20-5-8-22(31)9-6-20)21-7-12-26-24(14-21)28(32)25(29(36-26)40-2)13-19-3-10-23(11-4-19)38-18-34-16-35-38;1-35-17-33-16-26(35)29(36,20-7-10-22(30)11-8-20)21-9-12-25-23(14-21)27(31)24(28(34-25)37-2)13-18-3-5-19(15-32)6-4-18;1-35-24(16-30-33-35)28(38,25-17-31-34-36(25)2)19-8-11-23-21(15-19)26(29)22(27(32-23)39-3)14-18-6-9-20(10-7-18)37-12-4-5-13-37/h4-11,14-15,19-21,24,41H,12-13,16-18H2,1-3H3;3-12,14,17-19,45H,13H2,1-2H3;3-12,14-18,39H,13H2,1-2H3;3-12,14,16-17,36H,13H2,1-2H3;4-13,15-17,38H,14H2,1-3H3
• InChIKey: FMDJWXJDAPETNB-UHFFFAOYSA-N
• XLogP: 26.59
• TPSA: 498.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 33
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2830.63
LogP ≤ 5	26.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile?

The IUPAC name of 4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile (CID 158073925) is 4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile.

What is the SMILES notation for 4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile?

The canonical SMILES for 4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile is COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cncn2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(C#N)cc1.COc1nc2ccc(C(O)(c3cncn3C)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(-n2cccc2)cc1.COc1nc2ccc(C(O)(c3cnnn3C)c3cnnn3C)cc2c(Cl)c1Cc1ccc(-n2cccc2)cc1.Cc1cc(C(O)(c2ccc(C(F)(F)F)nc2)c2cncn2C)cc2c(C#N)c(Cc3ccc(-n4cccn4)cc3)c(C#N)nc12.

What is the InChIKey of 4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile?

The InChIKey is FMDJWXJDAPETNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34ClN5O3.C33H23F3N8O.C30H24Cl2N6O2.C29H22Cl2N4O2.C28H25ClN8O2/c1-22(40)38-16-12-24(13-17-38)33(41,30-20-35-21-37(30)2)25-8-11-29-27(19-25)31(34)28(32(36-29)42-3)18-23-6-9-26(10-7-23)39-14-4-5-15-39;1-20-12-23(32(45,30-18-39-19-43(30)2)22-6-9-29(40-17-22)33(34,35)36)14-26-27(15-37)25(28(16-38)42-31(20)26)13-21-4-7-24(8-5-21)44-11-3-10-41-44;1-37-17-33-15-27(37)30(39,20-5-8-22(31)9-6-20)21-7-12-26-24(14-21)28(32)25(29(36-26)40-2)13-19-3-10-23(11-4-19)38-18-34-16-35-38;1-35-17-33-16-26(35)29(36,20-7-10-22(30)11-8-20)21-9-12-25-23(14-21)27(31)24(28(34-25)37-2)13-18-3-5-19(15-32)6-4-18;1-35-24(16-30-33-35)28(38,25-17-31-34-36(25)2)19-8-11-23-21(15-19)26(29)22(27(32-23)39-3)14-18-6-9-20(10-7-18)37-12-4-5-13-37/h4-11,14-15,19-21,24,41H,12-13,16-18H2,1-3H3;3-12,14,17-19,45H,13H2,1-2H3;3-12,14-18,39H,13H2,1-2H3;3-12,14,16-17,36H,13H2,1-2H3;4-13,15-17,38H,14H2,1-3H3.

What are the key properties of 4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile?

4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile has a molecular weight of 2830.63 g/mol, XLogP of 26.59, 33 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile is sourced from PubChem (CID 158073925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).