(3-benzyl-4-chloro-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(1-methylpyrrol-3-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

C152H120Cl4F11N25O8S — CID 158798683

About (3-benzyl-4-chloro-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(1-methylpyrrol-3-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

(3-benzyl-4-chloro-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(1-methylpyrrol-3-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 158798683) has the molecular formula C152H120Cl4F11N25O8S and a molecular weight of 2807.66 g/mol. Its IUPAC name is (3-benzyl-4-chloro-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(1-methylpyrrol-3-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

• Compound Name: (3-benzyl-4-chloro-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(1-methylpyrrol-3-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
• PubChem CID: 158798683
• Molecular Formula: C152H120Cl4F11N25O8S
• Molecular Weight: 2807.66 g/mol
• Exact Mass: 2803.81
• IUPAC Name: (3-benzyl-4-chloro-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(1-methylpyrrol-3-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
• SMILES: COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccccc1.Cc1ccc(C(O)(c2ccc3nc(Cl)c(Cc4ccc(S(C)(=O)=O)cc4)c(Cl)c3c2)c2cnnn2C)c(C)n1.Cn1ccc(-c2nc3ccc(C(O)(c4ccc(C(F)(F)F)nc4)c4cncn4C)cc3c(C#N)c2Cc2ccccc2)c1.Cn1ccc(-c2nc3ccc(C(O)(c4ccc(C(F)(F)F)nc4)c4cncn4C)cc3c(Cl)c2Cc2ccccc2)c1.Cn1cncc1C(O)(c1ccc(C#N)cc1)c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(C#N)c2c1
• InChI: InChI=1S/C33H25F3N6O.C32H25ClF3N5O.C31H23F2N5O.C28H25Cl2N5O3S.C28H22ClF3N4O2/c1-41-13-12-22(19-41)31-26(14-21-6-4-3-5-7-21)27(16-37)25-15-23(8-10-28(25)40-31)32(43,30-18-38-20-42(30)2)24-9-11-29(39-17-24)33(34,35)36;1-40-13-12-21(18-40)30-25(14-20-6-4-3-5-7-20)29(33)24-15-22(8-10-26(24)39-30)31(42,28-17-37-19-41(28)2)23-9-11-27(38-16-23)32(34,35)36;1-30(32,33)29-25(14-20-6-4-3-5-7-20)26(17-35)24-15-23(12-13-27(24)37-29)31(39,28-18-36-19-38(28)2)22-10-8-21(16-34)9-11-22;1-16-5-11-23(17(2)32-16)28(36,25-15-31-34-35(25)3)19-8-12-24-21(14-19)26(29)22(27(30)33-24)13-18-6-9-20(10-7-18)39(4,37)38;1-36-16-33-15-24(36)27(37,19-9-11-23(34-14-19)28(30,31)32)18-8-10-22-20(13-18)25(29)21(26(35-22)38-2)12-17-6-4-3-5-7-17/h3-13,15,17-20,43H,14H2,1-2H3;3-13,15-19,42H,14H2,1-2H3;3-13,15,18-19,39H,14H2,1-2H3;5-12,14-15,36H,13H2,1-4H3;3-11,13-16,37H,12H2,1-2H3
• InChIKey: ITESSBUTQWSSQP-UHFFFAOYSA-N
• XLogP: 29.63
• TPSA: 443.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2807.66
LogP ≤ 5	29.63
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-4-chloro-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(1-methylpyrrol-3-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The IUPAC name of (3-benzyl-4-chloro-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(1-methylpyrrol-3-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (CID 158798683) is (3-benzyl-4-chloro-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(1-methylpyrrol-3-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

What is the SMILES notation for (3-benzyl-4-chloro-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(1-methylpyrrol-3-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The canonical SMILES for (3-benzyl-4-chloro-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(1-methylpyrrol-3-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccccc1.Cc1ccc(C(O)(c2ccc3nc(Cl)c(Cc4ccc(S(C)(=O)=O)cc4)c(Cl)c3c2)c2cnnn2C)c(C)n1.Cn1ccc(-c2nc3ccc(C(O)(c4ccc(C(F)(F)F)nc4)c4cncn4C)cc3c(C#N)c2Cc2ccccc2)c1.Cn1ccc(-c2nc3ccc(C(O)(c4ccc(C(F)(F)F)nc4)c4cncn4C)cc3c(Cl)c2Cc2ccccc2)c1.Cn1cncc1C(O)(c1ccc(C#N)cc1)c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(C#N)c2c1.

What is the InChIKey of (3-benzyl-4-chloro-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(1-methylpyrrol-3-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The InChIKey is ITESSBUTQWSSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F3N6O.C32H25ClF3N5O.C31H23F2N5O.C28H25Cl2N5O3S.C28H22ClF3N4O2/c1-41-13-12-22(19-41)31-26(14-21-6-4-3-5-7-21)27(16-37)25-15-23(8-10-28(25)40-31)32(43,30-18-38-20-42(30)2)24-9-11-29(39-17-24)33(34,35)36;1-40-13-12-21(18-40)30-25(14-20-6-4-3-5-7-20)29(33)24-15-22(8-10-26(24)39-30)31(42,28-17-37-19-41(28)2)23-9-11-27(38-16-23)32(34,35)36;1-30(32,33)29-25(14-20-6-4-3-5-7-20)26(17-35)24-15-23(12-13-27(24)37-29)31(39,28-18-36-19-38(28)2)22-10-8-21(16-34)9-11-22;1-16-5-11-23(17(2)32-16)28(36,25-15-31-34-35(25)3)19-8-12-24-21(14-19)26(29)22(27(30)33-24)13-18-6-9-20(10-7-18)39(4,37)38;1-36-16-33-15-24(36)27(37,19-9-11-23(34-14-19)28(30,31)32)18-8-10-22-20(13-18)25(29)21(26(35-22)38-2)12-17-6-4-3-5-7-17/h3-13,15,17-20,43H,14H2,1-2H3;3-13,15-19,42H,14H2,1-2H3;3-13,15,18-19,39H,14H2,1-2H3;5-12,14-15,36H,13H2,1-4H3;3-11,13-16,37H,12H2,1-2H3.

What are the key properties of (3-benzyl-4-chloro-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(1-methylpyrrol-3-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

(3-benzyl-4-chloro-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(1-methylpyrrol-3-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 2807.66 g/mol, XLogP of 29.63, 30 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (3-benzyl-4-chloro-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(1-methylpyrrol-3-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 158798683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).