(3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;(4-chlorophenyl)-[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol

C157H120Cl8F5N15O7 — CID 161337166

About (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;(4-chlorophenyl)-[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol

(3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;(4-chlorophenyl)-[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol (PubChem CID 161337166) has the molecular formula C157H120Cl8F5N15O7 and a molecular weight of 2707.40 g/mol. Its IUPAC name is (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;(4-chlorophenyl)-[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol.

Molecular Properties

• Compound Name: (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;(4-chlorophenyl)-[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol
• PubChem CID: 161337166
• Molecular Formula: C157H120Cl8F5N15O7
• Molecular Weight: 2707.40 g/mol
• Exact Mass: 2701.69
• IUPAC Name: (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;(4-chlorophenyl)-[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol
• SMILES: CCC(=O)c1nc2ccc(C(O)(c3ccc(F)cc3)c3cncn3C)cc2c(C(F)(F)F)c1Cc1ccccc1.COc1ccc(C(O)(c2cccnc2)c2ccc3nc(Cl)c(Cc4ccc(-n5cccc5)cc4)c(Cl)c3c2)cc1.Cc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C)c1Cc1ccccc1.OC(c1ccc(Cl)cc1)(c1cccnc1)c1ccc2nc(Cl)c(Cc3ccc(-n4cccc4)cc3)c(Cl)c2c1.OC(c1ccc(F)cc1)(c1cccnc1)c1ccc2nc(Cl)c(Cc3ccc(-n4cccc4)cc3)c(Cl)c2c1
• InChI: InChI=1S/C33H25Cl2N3O2.C32H22Cl3N3O.C32H22Cl2FN3O.C31H25F4N3O2.C29H26ClN3O/c1-40-27-13-8-23(9-14-27)33(39,25-5-4-16-36-21-25)24-10-15-30-28(20-24)31(34)29(32(35)37-30)19-22-6-11-26(12-7-22)38-17-2-3-18-38;33-25-10-7-22(8-11-25)32(39,24-4-3-15-36-20-24)23-9-14-29-27(19-23)30(34)28(31(35)37-29)18-21-5-12-26(13-6-21)38-16-1-2-17-38;33-30-27-19-23(32(39,24-4-3-15-36-20-24)22-7-10-25(35)11-8-22)9-14-29(27)37-31(34)28(30)18-21-5-12-26(13-6-21)38-16-1-2-17-38;1-3-26(39)29-24(15-19-7-5-4-6-8-19)28(31(33,34)35)23-16-21(11-14-25(23)37-29)30(40,27-17-36-18-38(27)2)20-9-12-22(32)13-10-20;1-19-25(15-21-7-5-4-6-8-21)20(2)32-27-14-11-23(16-26(19)27)29(34,28-17-31-18-33(28)3)22-9-12-24(30)13-10-22/h2-18,20-21,39H,19H2,1H3;2*1-17,19-20,39H,18H2;4-14,16-18,40H,3,15H2,1-2H3;4-14,16-18,34H,15H2,1-3H3
• InChIKey: VMELKMUCJWTZCF-UHFFFAOYSA-N
• XLogP: 36.32
• TPSA: 281.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 31
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2707.40
LogP ≤ 5	36.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;(4-chlorophenyl)-[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol?

The IUPAC name of (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;(4-chlorophenyl)-[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol (CID 161337166) is (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;(4-chlorophenyl)-[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol.

What is the SMILES notation for (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;(4-chlorophenyl)-[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol?

The canonical SMILES for (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;(4-chlorophenyl)-[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol is CCC(=O)c1nc2ccc(C(O)(c3ccc(F)cc3)c3cncn3C)cc2c(C(F)(F)F)c1Cc1ccccc1.COc1ccc(C(O)(c2cccnc2)c2ccc3nc(Cl)c(Cc4ccc(-n5cccc5)cc4)c(Cl)c3c2)cc1.Cc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C)c1Cc1ccccc1.OC(c1ccc(Cl)cc1)(c1cccnc1)c1ccc2nc(Cl)c(Cc3ccc(-n4cccc4)cc3)c(Cl)c2c1.OC(c1ccc(F)cc1)(c1cccnc1)c1ccc2nc(Cl)c(Cc3ccc(-n4cccc4)cc3)c(Cl)c2c1.

What is the InChIKey of (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;(4-chlorophenyl)-[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol?

The InChIKey is VMELKMUCJWTZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25Cl2N3O2.C32H22Cl3N3O.C32H22Cl2FN3O.C31H25F4N3O2.C29H26ClN3O/c1-40-27-13-8-23(9-14-27)33(39,25-5-4-16-36-21-25)24-10-15-30-28(20-24)31(34)29(32(35)37-30)19-22-6-11-26(12-7-22)38-17-2-3-18-38;33-25-10-7-22(8-11-25)32(39,24-4-3-15-36-20-24)23-9-14-29-27(19-23)30(34)28(31(35)37-29)18-21-5-12-26(13-6-21)38-16-1-2-17-38;33-30-27-19-23(32(39,24-4-3-15-36-20-24)22-7-10-25(35)11-8-22)9-14-29(27)37-31(34)28(30)18-21-5-12-26(13-6-21)38-16-1-2-17-38;1-3-26(39)29-24(15-19-7-5-4-6-8-19)28(31(33,34)35)23-16-21(11-14-25(23)37-29)30(40,27-17-36-18-38(27)2)20-9-12-22(32)13-10-20;1-19-25(15-21-7-5-4-6-8-21)20(2)32-27-14-11-23(16-26(19)27)29(34,28-17-31-18-33(28)3)22-9-12-24(30)13-10-22/h2-18,20-21,39H,19H2,1H3;2*1-17,19-20,39H,18H2;4-14,16-18,40H,3,15H2,1-2H3;4-14,16-18,34H,15H2,1-3H3.

What are the key properties of (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;(4-chlorophenyl)-[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol?

(3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;(4-chlorophenyl)-[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol has a molecular weight of 2707.40 g/mol, XLogP of 36.32, 31 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;(4-chlorophenyl)-[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 161337166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).