[2,4-bis(methylsulfanyl)-3-phenylquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile

C161H145Cl5F3N31O9S4 — CID 159595462

About [2,4-bis(methylsulfanyl)-3-phenylquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile

[2,4-bis(methylsulfanyl)-3-phenylquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile (PubChem CID 159595462) has the molecular formula C161H145Cl5F3N31O9S4 and a molecular weight of 3020.67 g/mol. Its IUPAC name is [2,4-bis(methylsulfanyl)-3-phenylquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile.

Molecular Properties

• Compound Name: [2,4-bis(methylsulfanyl)-3-phenylquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile
• PubChem CID: 159595462
• Molecular Formula: C161H145Cl5F3N31O9S4
• Molecular Weight: 3020.67 g/mol
• Exact Mass: 3015.91
• IUPAC Name: [2,4-bis(methylsulfanyl)-3-phenylquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile
• SMILES: CC(=O)N1CCC(C(O)(c2ccc3nc(C(F)(F)F)c(-c4ccccc4)c(Cl)c3c2)c2cncn2C)CC1.CCCN(C)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.COc1c(-c2ccccc2)c(Cl)nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc12.COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1-c1ccccc1.CSc1nc2ccc(C(O)(c3sc(C)nc3C)c3cncn3C)cc2c(SC)c1-c1ccccc1.Cc1nc(C)c(C(O)(c2ccc3nc(C#N)c(-c4ccccc4)c(C#N)c3c2)c2cnnn2C)s1
• InChI: InChI=1S/C30H28Cl2N4O.C28H26ClF3N4O2.C27H26N4OS3.C26H19N7OS.2C25H23ClN6O2/c1-4-16-35(2)29-27(20-8-6-5-7-9-20)28(32)24-17-22(12-15-25(24)34-29)30(37,26-18-33-19-36(26)3)21-10-13-23(31)14-11-21;1-17(37)36-12-10-19(11-13-36)27(38,23-15-33-16-35(23)2)20-8-9-22-21(14-20)25(29)24(18-6-4-3-5-7-18)26(34-22)28(30,31)32;1-16-25(35-17(2)29-16)27(32,22-14-28-15-31(22)3)19-11-12-21-20(13-19)24(33-4)23(26(30-21)34-5)18-9-7-6-8-10-18;1-15-25(35-16(2)30-15)26(34,23-14-29-32-33(23)3)18-9-10-21-19(11-18)20(12-27)24(22(13-28)31-21)17-7-5-4-6-8-17;1-15-27-13-20(31(15)2)25(33,21-14-28-30-32(21)3)17-10-11-19-18(12-17)23(34-4)22(24(26)29-19)16-8-6-5-7-9-16;1-15-27-13-20(31(15)2)25(33,21-14-28-30-32(21)3)17-10-11-19-18(12-17)23(26)22(24(29-19)34-4)16-8-6-5-7-9-16/h5-15,17-19,37H,4,16H2,1-3H3;3-9,14-16,19,38H,10-13H2,1-2H3;6-15,32H,1-5H3;4-11,14,34H,1-3H3;2*5-14,33H,1-4H3
• InChIKey: MKTYGKWEXJCGEG-UHFFFAOYSA-N
• XLogP: 31.48
• TPSA: 495.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 31
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3020.67
LogP ≤ 5	31.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(methylsulfanyl)-3-phenylquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile?

The IUPAC name of [2,4-bis(methylsulfanyl)-3-phenylquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile (CID 159595462) is [2,4-bis(methylsulfanyl)-3-phenylquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile.

What is the SMILES notation for [2,4-bis(methylsulfanyl)-3-phenylquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile?

The canonical SMILES for [2,4-bis(methylsulfanyl)-3-phenylquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile is CC(=O)N1CCC(C(O)(c2ccc3nc(C(F)(F)F)c(-c4ccccc4)c(Cl)c3c2)c2cncn2C)CC1.CCCN(C)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.COc1c(-c2ccccc2)c(Cl)nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc12.COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1-c1ccccc1.CSc1nc2ccc(C(O)(c3sc(C)nc3C)c3cncn3C)cc2c(SC)c1-c1ccccc1.Cc1nc(C)c(C(O)(c2ccc3nc(C#N)c(-c4ccccc4)c(C#N)c3c2)c2cnnn2C)s1.

What is the InChIKey of [2,4-bis(methylsulfanyl)-3-phenylquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile?

The InChIKey is MKTYGKWEXJCGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28Cl2N4O.C28H26ClF3N4O2.C27H26N4OS3.C26H19N7OS.2C25H23ClN6O2/c1-4-16-35(2)29-27(20-8-6-5-7-9-20)28(32)24-17-22(12-15-25(24)34-29)30(37,26-18-33-19-36(26)3)21-10-13-23(31)14-11-21;1-17(37)36-12-10-19(11-13-36)27(38,23-15-33-16-35(23)2)20-8-9-22-21(14-20)25(29)24(18-6-4-3-5-7-18)26(34-22)28(30,31)32;1-16-25(35-17(2)29-16)27(32,22-14-28-15-31(22)3)19-11-12-21-20(13-19)24(33-4)23(26(30-21)34-5)18-9-7-6-8-10-18;1-15-25(35-16(2)30-15)26(34,23-14-29-32-33(23)3)18-9-10-21-19(11-18)20(12-27)24(22(13-28)31-21)17-7-5-4-6-8-17;1-15-27-13-20(31(15)2)25(33,21-14-28-30-32(21)3)17-10-11-19-18(12-17)23(34-4)22(24(26)29-19)16-8-6-5-7-9-16;1-15-27-13-20(31(15)2)25(33,21-14-28-30-32(21)3)17-10-11-19-18(12-17)23(26)22(24(29-19)34-4)16-8-6-5-7-9-16/h5-15,17-19,37H,4,16H2,1-3H3;3-9,14-16,19,38H,10-13H2,1-2H3;6-15,32H,1-5H3;4-11,14,34H,1-3H3;2*5-14,33H,1-4H3.

What are the key properties of [2,4-bis(methylsulfanyl)-3-phenylquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile?

[2,4-bis(methylsulfanyl)-3-phenylquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile has a molecular weight of 3020.67 g/mol, XLogP of 31.48, 31 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for [2,4-bis(methylsulfanyl)-3-phenylquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile is sourced from PubChem (CID 159595462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).