6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-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)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol

C162H132Cl4F9N25O11S3 — CID 159678417

About 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-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)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol

6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-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)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol (PubChem CID 159678417) has the molecular formula C162H132Cl4F9N25O11S3 and a molecular weight of 3014.00 g/mol. Its IUPAC name is 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-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)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol.

Molecular Properties

• Compound Name: 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-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)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
• PubChem CID: 159678417
• Molecular Formula: C162H132Cl4F9N25O11S3
• Molecular Weight: 3014.00 g/mol
• Exact Mass: 3009.83
• IUPAC Name: 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-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)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
• SMILES: CC(=O)N1CCC(C(O)(c2cccnc2)c2ccc3nc(C(F)(F)F)c(-c4ccccc4)c(C#N)c3c2)CC1.COc1c(-c2ccccc2)c(C(F)(F)F)nc2ccc(C(O)(c3ccccn3)c3cncn3C)cc12.COc1c(-c2ccccc2)c(Cl)nc2ccc(C(O)(c3sc(C)nc3C)c3cncn3C)cc12.COc1c(-c2ccccc2)c(Cl)nc2ccc(C(O)(c3sc(C)nc3C)c3cnnn3C)cc12.COc1nc2ccc(C(O)(c3sc(C)nc3C)c3cncn3C)cc2c(Cl)c1-c1ccccc1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(C#N)c2c1
• InChI: InChI=1S/C30H25F3N4O2.C28H18ClF3N4O.C27H21F3N4O2.2C26H23ClN4O2S.C25H22ClN5O2S/c1-19(38)37-14-11-21(12-15-37)29(39,23-8-5-13-35-18-23)22-9-10-26-24(16-22)25(17-34)27(20-6-3-2-4-7-20)28(36-26)30(31,32)33;1-36-16-34-15-24(36)27(37,18-7-10-20(29)11-8-18)19-9-12-23-21(13-19)22(14-33)25(17-5-3-2-4-6-17)26(35-23)28(30,31)32;1-34-16-31-15-22(34)26(35,21-10-6-7-13-32-21)18-11-12-20-19(14-18)24(36-2)23(17-8-4-3-5-9-17)25(33-20)27(28,29)30;1-15-24(34-16(2)29-15)26(32,21-13-28-14-31(21)3)18-10-11-20-19(12-18)23(33-4)22(25(27)30-20)17-8-6-5-7-9-17;1-15-24(34-16(2)29-15)26(32,21-13-28-14-31(21)3)18-10-11-20-19(12-18)23(27)22(25(30-20)33-4)17-8-6-5-7-9-17;1-14-23(34-15(2)28-14)25(32,20-13-27-30-31(20)3)17-10-11-19-18(12-17)22(33-4)21(24(26)29-19)16-8-6-5-7-9-16/h2-10,13,16,18,21,39H,11-12,14-15H2,1H3;2-13,15-16,37H,1H3;3-16,35H,1-2H3;2*5-14,32H,1-4H3;5-13,32H,1-4H3
• InChIKey: MUXFGGXNAMGVMU-UHFFFAOYSA-N
• XLogP: 33.85
• TPSA: 469.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 28
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3014.00
LogP ≤ 5	33.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-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)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?

The IUPAC name of 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-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)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol (CID 159678417) is 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-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)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol.

What is the SMILES notation for 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-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)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?

The canonical SMILES for 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-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)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol is CC(=O)N1CCC(C(O)(c2cccnc2)c2ccc3nc(C(F)(F)F)c(-c4ccccc4)c(C#N)c3c2)CC1.COc1c(-c2ccccc2)c(C(F)(F)F)nc2ccc(C(O)(c3ccccn3)c3cncn3C)cc12.COc1c(-c2ccccc2)c(Cl)nc2ccc(C(O)(c3sc(C)nc3C)c3cncn3C)cc12.COc1c(-c2ccccc2)c(Cl)nc2ccc(C(O)(c3sc(C)nc3C)c3cnnn3C)cc12.COc1nc2ccc(C(O)(c3sc(C)nc3C)c3cncn3C)cc2c(Cl)c1-c1ccccc1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(C#N)c2c1.

What is the InChIKey of 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-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)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?

The InChIKey is MUXFGGXNAMGVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N4O2.C28H18ClF3N4O.C27H21F3N4O2.2C26H23ClN4O2S.C25H22ClN5O2S/c1-19(38)37-14-11-21(12-15-37)29(39,23-8-5-13-35-18-23)22-9-10-26-24(16-22)25(17-34)27(20-6-3-2-4-7-20)28(36-26)30(31,32)33;1-36-16-34-15-24(36)27(37,18-7-10-20(29)11-8-18)19-9-12-23-21(13-19)22(14-33)25(17-5-3-2-4-6-17)26(35-23)28(30,31)32;1-34-16-31-15-22(34)26(35,21-10-6-7-13-32-21)18-11-12-20-19(14-18)24(36-2)23(17-8-4-3-5-9-17)25(33-20)27(28,29)30;1-15-24(34-16(2)29-15)26(32,21-13-28-14-31(21)3)18-10-11-20-19(12-18)23(33-4)22(25(27)30-20)17-8-6-5-7-9-17;1-15-24(34-16(2)29-15)26(32,21-13-28-14-31(21)3)18-10-11-20-19(12-18)23(27)22(25(30-20)33-4)17-8-6-5-7-9-17;1-14-23(34-15(2)28-14)25(32,20-13-27-30-31(20)3)17-10-11-19-18(12-17)22(33-4)21(24(26)29-19)16-8-6-5-7-9-16/h2-10,13,16,18,21,39H,11-12,14-15H2,1H3;2-13,15-16,37H,1H3;3-16,35H,1-2H3;2*5-14,32H,1-4H3;5-13,32H,1-4H3.

What are the key properties of 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-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)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?

6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-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)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol has a molecular weight of 3014.00 g/mol, XLogP of 33.85, 28 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-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)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol is sourced from PubChem (CID 159678417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).