2,4-dichloro-6-[1-(4-chlorophenyl)-1-(3-methylimidazol-4-yl)ethyl]-5-fluoro-3-phenylquinoline;(2,4-dichloro-5-fluoro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol;(1-ethylpiperidin-4-yl)-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-8-methyl-3-(3-methylphenyl)quinoline-2,4-dicarbonitrile;1-[4-[hydroxy-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone;phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-3-ylmethanol

C₂₀₁H₁₄₉Cl₇F₂₃N₂₁O₇ — CID 159611707

About 2,4-dichloro-6-[1-(4-chlorophenyl)-1-(3-methylimidazol-4-yl)ethyl]-5-fluoro-3-phenylquinoline;(2,4-dichloro-5-fluoro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol;(1-ethylpiperidin-4-yl)-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-8-methyl-3-(3-methylphenyl)quinoline-2,4-dicarbonitrile;1-[4-[hydroxy-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone;phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-3-ylmethanol

2,4-dichloro-6-[1-(4-chlorophenyl)-1-(3-methylimidazol-4-yl)ethyl]-5-fluoro-3-phenylquinoline;(2,4-dichloro-5-fluoro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol;(1-ethylpiperidin-4-yl)-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-8-methyl-3-(3-methylphenyl)quinoline-2,4-dicarbonitrile;1-[4-[hydroxy-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone;phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-3-ylmethanol (PubChem CID 159611707) has the molecular formula C₂₀₁H₁₄₉Cl₇F₂₃N₂₁O₇ and a molecular weight of 3655.67 g/mol. Its IUPAC name is 2,4-dichloro-6-[1-(4-chlorophenyl)-1-(3-methylimidazol-4-yl)ethyl]-5-fluoro-3-phenylquinoline;(2,4-dichloro-5-fluoro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol;(1-ethylpiperidin-4-yl)-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-8-methyl-3-(3-methylphenyl)quinoline-2,4-dicarbonitrile;1-[4-[hydroxy-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone;phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-3-ylmethanol.

Molecular Properties

• Compound Name: 2,4-dichloro-6-[1-(4-chlorophenyl)-1-(3-methylimidazol-4-yl)ethyl]-5-fluoro-3-phenylquinoline;(2,4-dichloro-5-fluoro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol;(1-ethylpiperidin-4-yl)-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-8-methyl-3-(3-methylphenyl)quinoline-2,4-dicarbonitrile;1-[4-[hydroxy-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone;phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-3-ylmethanol
• PubChem CID: 159611707
• Molecular Formula: C₂₀₁H₁₄₉Cl₇F₂₃N₂₁O₇
• Molecular Weight: 3655.67 g/mol
• Exact Mass: 3649.94
• IUPAC Name: 2,4-dichloro-6-[1-(4-chlorophenyl)-1-(3-methylimidazol-4-yl)ethyl]-5-fluoro-3-phenylquinoline;(2,4-dichloro-5-fluoro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol;(1-ethylpiperidin-4-yl)-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-8-methyl-3-(3-methylphenyl)quinoline-2,4-dicarbonitrile;1-[4-[hydroxy-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone;phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-3-ylmethanol
• SMILES: CC(=O)N1CCC(C(O)(c2ccccc2)c2ccc3nc(C(F)(F)F)c(-c4ccccc4)c(C(F)(F)F)c3c2)CC1.CCN1CCC(C(O)(c2ccccc2)c2ccc3nc(C(F)(F)F)c(-c4ccccc4)c(C(F)(F)F)c3c2)CC1.Cc1cccc(-c2c(C#N)nc3c(C)cc(C(O)(c4ccc(C)nc4)c4cncn4C)cc3c2C#N)c1.Cn1cncc1C(C)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1F.Cn1cncc1C(O)(c1ccncc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1F.OC(c1ccc(C(F)(F)F)cc1)(c1cccnc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.OC(c1ccccc1)(c1cccnc1)c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(C(F)(F)F)c2c1
• InChI: InChI=1S/C31H26F6N2O2.C31H28F6N2O.C30H24N6O.C29H18F6N2O.C28H17Cl2F3N2O.C27H19Cl3FN3.C25H17Cl2FN4O/c1-19(40)39-16-14-22(15-17-39)29(41,21-10-6-3-7-11-21)23-12-13-25-24(18-23)27(30(32,33)34)26(20-8-4-2-5-9-20)28(38-25)31(35,36)37;1-2-39-17-15-22(16-18-39)29(40,21-11-7-4-8-12-21)23-13-14-25-24(19-23)27(30(32,33)34)26(20-9-5-3-6-10-20)28(38-25)31(35,36)37;1-18-6-5-7-21(10-18)28-25(13-31)24-12-23(11-19(2)29(24)35-26(28)14-32)30(37,27-16-33-17-36(27)4)22-9-8-20(3)34-15-22;30-28(31,32)25-22-16-20(27(38,19-10-5-2-6-11-19)21-12-7-15-36-17-21)13-14-23(22)37-26(29(33,34)35)24(25)18-8-3-1-4-9-18;29-25-22-15-20(12-13-23(22)35-26(30)24(25)17-5-2-1-3-6-17)27(36,21-7-4-14-34-16-21)18-8-10-19(11-9-18)28(31,32)33;1-27(21-14-32-15-34(21)2,17-8-10-18(28)11-9-17)19-12-13-20-23(25(19)31)24(29)22(26(30)33-20)16-6-4-3-5-7-16;1-32-14-30-13-19(32)25(33,16-9-11-29-12-10-16)17-7-8-18-21(23(17)28)22(26)20(24(27)31-18)15-5-3-2-4-6-15/h2-13,18,22,41H,14-17H2,1H3;3-14,19,22,40H,2,15-18H2,1H3;5-12,15-17,37H,1-4H3;1-17,38H;1-16,36H;3-15H,1-2H3;2-14,33H,1H3
• InChIKey: MMTSYQMSYFMESS-UHFFFAOYSA-N
• XLogP: 49.70
• TPSA: 387.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 259
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3655.67
LogP ≤ 5	49.70
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[1-(4-chlorophenyl)-1-(3-methylimidazol-4-yl)ethyl]-5-fluoro-3-phenylquinoline;(2,4-dichloro-5-fluoro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol;(1-ethylpiperidin-4-yl)-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-8-methyl-3-(3-methylphenyl)quinoline-2,4-dicarbonitrile;1-[4-[hydroxy-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone;phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-3-ylmethanol?

The IUPAC name of 2,4-dichloro-6-[1-(4-chlorophenyl)-1-(3-methylimidazol-4-yl)ethyl]-5-fluoro-3-phenylquinoline;(2,4-dichloro-5-fluoro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol;(1-ethylpiperidin-4-yl)-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-8-methyl-3-(3-methylphenyl)quinoline-2,4-dicarbonitrile;1-[4-[hydroxy-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone;phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-3-ylmethanol (CID 159611707) is 2,4-dichloro-6-[1-(4-chlorophenyl)-1-(3-methylimidazol-4-yl)ethyl]-5-fluoro-3-phenylquinoline;(2,4-dichloro-5-fluoro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol;(1-ethylpiperidin-4-yl)-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-8-methyl-3-(3-methylphenyl)quinoline-2,4-dicarbonitrile;1-[4-[hydroxy-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone;phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-3-ylmethanol.

What is the SMILES notation for 2,4-dichloro-6-[1-(4-chlorophenyl)-1-(3-methylimidazol-4-yl)ethyl]-5-fluoro-3-phenylquinoline;(2,4-dichloro-5-fluoro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol;(1-ethylpiperidin-4-yl)-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-8-methyl-3-(3-methylphenyl)quinoline-2,4-dicarbonitrile;1-[4-[hydroxy-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone;phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-3-ylmethanol?

The canonical SMILES for 2,4-dichloro-6-[1-(4-chlorophenyl)-1-(3-methylimidazol-4-yl)ethyl]-5-fluoro-3-phenylquinoline;(2,4-dichloro-5-fluoro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol;(1-ethylpiperidin-4-yl)-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-8-methyl-3-(3-methylphenyl)quinoline-2,4-dicarbonitrile;1-[4-[hydroxy-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone;phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-3-ylmethanol is CC(=O)N1CCC(C(O)(c2ccccc2)c2ccc3nc(C(F)(F)F)c(-c4ccccc4)c(C(F)(F)F)c3c2)CC1.CCN1CCC(C(O)(c2ccccc2)c2ccc3nc(C(F)(F)F)c(-c4ccccc4)c(C(F)(F)F)c3c2)CC1.Cc1cccc(-c2c(C#N)nc3c(C)cc(C(O)(c4ccc(C)nc4)c4cncn4C)cc3c2C#N)c1.Cn1cncc1C(C)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1F.Cn1cncc1C(O)(c1ccncc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1F.OC(c1ccc(C(F)(F)F)cc1)(c1cccnc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.OC(c1ccccc1)(c1cccnc1)c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(C(F)(F)F)c2c1.

What is the InChIKey of 2,4-dichloro-6-[1-(4-chlorophenyl)-1-(3-methylimidazol-4-yl)ethyl]-5-fluoro-3-phenylquinoline;(2,4-dichloro-5-fluoro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol;(1-ethylpiperidin-4-yl)-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-8-methyl-3-(3-methylphenyl)quinoline-2,4-dicarbonitrile;1-[4-[hydroxy-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone;phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-3-ylmethanol?

The InChIKey is MMTSYQMSYFMESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F6N2O2.C31H28F6N2O.C30H24N6O.C29H18F6N2O.C28H17Cl2F3N2O.C27H19Cl3FN3.C25H17Cl2FN4O/c1-19(40)39-16-14-22(15-17-39)29(41,21-10-6-3-7-11-21)23-12-13-25-24(18-23)27(30(32,33)34)26(20-8-4-2-5-9-20)28(38-25)31(35,36)37;1-2-39-17-15-22(16-18-39)29(40,21-11-7-4-8-12-21)23-13-14-25-24(19-23)27(30(32,33)34)26(20-9-5-3-6-10-20)28(38-25)31(35,36)37;1-18-6-5-7-21(10-18)28-25(13-31)24-12-23(11-19(2)29(24)35-26(28)14-32)30(37,27-16-33-17-36(27)4)22-9-8-20(3)34-15-22;30-28(31,32)25-22-16-20(27(38,19-10-5-2-6-11-19)21-12-7-15-36-17-21)13-14-23(22)37-26(29(33,34)35)24(25)18-8-3-1-4-9-18;29-25-22-15-20(12-13-23(22)35-26(30)24(25)17-5-2-1-3-6-17)27(36,21-7-4-14-34-16-21)18-8-10-19(11-9-18)28(31,32)33;1-27(21-14-32-15-34(21)2,17-8-10-18(28)11-9-17)19-12-13-20-23(25(19)31)24(29)22(26(30)33-20)16-6-4-3-5-7-16;1-32-14-30-13-19(32)25(33,16-9-11-29-12-10-16)17-7-8-18-21(23(17)28)22(26)20(24(27)31-18)15-5-3-2-4-6-15/h2-13,18,22,41H,14-17H2,1H3;3-14,19,22,40H,2,15-18H2,1H3;5-12,15-17,37H,1-4H3;1-17,38H;1-16,36H;3-15H,1-2H3;2-14,33H,1H3.

What are the key properties of 2,4-dichloro-6-[1-(4-chlorophenyl)-1-(3-methylimidazol-4-yl)ethyl]-5-fluoro-3-phenylquinoline;(2,4-dichloro-5-fluoro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol;(1-ethylpiperidin-4-yl)-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-8-methyl-3-(3-methylphenyl)quinoline-2,4-dicarbonitrile;1-[4-[hydroxy-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone;phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-3-ylmethanol?

2,4-dichloro-6-[1-(4-chlorophenyl)-1-(3-methylimidazol-4-yl)ethyl]-5-fluoro-3-phenylquinoline;(2,4-dichloro-5-fluoro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol;(1-ethylpiperidin-4-yl)-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-8-methyl-3-(3-methylphenyl)quinoline-2,4-dicarbonitrile;1-[4-[hydroxy-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone;phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-3-ylmethanol has a molecular weight of 3655.67 g/mol, XLogP of 49.70, 29 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-6-[1-(4-chlorophenyl)-1-(3-methylimidazol-4-yl)ethyl]-5-fluoro-3-phenylquinoline;(2,4-dichloro-5-fluoro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol;(1-ethylpiperidin-4-yl)-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-8-methyl-3-(3-methylphenyl)quinoline-2,4-dicarbonitrile;1-[4-[hydroxy-phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone;phenyl-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 159611707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159611707 — identifiers, structure, computed properties (public domain)

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