[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

C149H123Cl9F8N26O7 — CID 160989869

About [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 160989869) has the molecular formula C149H123Cl9F8N26O7 and a molecular weight of 2860.86 g/mol. Its IUPAC name is [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

• Compound Name: [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
• PubChem CID: 160989869
• Molecular Formula: C149H123Cl9F8N26O7
• Molecular Weight: 2860.86 g/mol
• Exact Mass: 2854.71
• IUPAC Name: [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
• SMILES: CCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3oc(C)nc3C)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1.Cc1ccc(C(O)(c2ccc3nc(Cl)c(Cc4ccc(-n5cccn5)cc4)c(Cl)c3c2)c2cnnn2C)c(C)n1.Cc1ccc(Cc2c(Cl)nc3ccc(C(O)(c4ccc(C(F)(F)F)nc4)c4cncn4C)cc3c2Cl)cc1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(Cc3ccc(C(C)(F)F)cc3)c(Cl)c2c1
• InChI: InChI=1S/C35H32ClN7O.C30H25Cl2N7O.C29H22Cl3F2N3O.C28H21Cl2F3N4O.C27H23ClF3N5O3/c1-4-42(5-2)34-30(19-24-7-14-28(15-8-24)43-18-6-17-39-43)31(21-37)29-20-26(11-16-32(29)40-34)35(44,33-22-38-23-41(33)3)25-9-12-27(36)13-10-25;1-18-5-11-25(19(2)35-18)30(40,27-17-33-37-38(27)3)21-8-12-26-23(16-21)28(31)24(29(32)36-26)15-20-6-9-22(10-7-20)39-14-4-13-34-39;1-28(33,34)18-5-3-17(4-6-18)13-23-26(31)22-14-20(9-12-24(22)36-27(23)32)29(38,25-15-35-16-37(25)2)19-7-10-21(30)11-8-19;1-16-3-5-17(6-4-16)11-21-25(29)20-12-18(7-9-22(20)36-26(21)30)27(38,24-14-34-15-37(24)2)19-8-10-23(35-13-19)28(31,32)33;1-14-24(39-15(2)33-14)26(37,22-13-32-35-36(22)3)18-9-10-21-19(12-18)23(28)20(25(34-21)38-4)11-16-5-7-17(8-6-16)27(29,30)31/h6-18,20,22-23,44H,4-5,19H2,1-3H3;4-14,16-17,40H,15H2,1-3H3;3-12,14-16,38H,13H2,1-2H3;3-10,12-15,38H,11H2,1-2H3;5-10,12-13,37H,11H2,1-4H3
• InChIKey: TUMACZZLJAXHIO-UHFFFAOYSA-N
• XLogP: 32.45
• TPSA: 404.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2860.86
LogP ≤ 5	32.45
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 [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The IUPAC name of [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (CID 160989869) is [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

What is the SMILES notation for [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The canonical SMILES for [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is CCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3oc(C)nc3C)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1.Cc1ccc(C(O)(c2ccc3nc(Cl)c(Cc4ccc(-n5cccn5)cc4)c(Cl)c3c2)c2cnnn2C)c(C)n1.Cc1ccc(Cc2c(Cl)nc3ccc(C(O)(c4ccc(C(F)(F)F)nc4)c4cncn4C)cc3c2Cl)cc1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(Cc3ccc(C(C)(F)F)cc3)c(Cl)c2c1.

What is the InChIKey of [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The InChIKey is TUMACZZLJAXHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32ClN7O.C30H25Cl2N7O.C29H22Cl3F2N3O.C28H21Cl2F3N4O.C27H23ClF3N5O3/c1-4-42(5-2)34-30(19-24-7-14-28(15-8-24)43-18-6-17-39-43)31(21-37)29-20-26(11-16-32(29)40-34)35(44,33-22-38-23-41(33)3)25-9-12-27(36)13-10-25;1-18-5-11-25(19(2)35-18)30(40,27-17-33-37-38(27)3)21-8-12-26-23(16-21)28(31)24(29(32)36-26)15-20-6-9-22(10-7-20)39-14-4-13-34-39;1-28(33,34)18-5-3-17(4-6-18)13-23-26(31)22-14-20(9-12-24(22)36-27(23)32)29(38,25-15-35-16-37(25)2)19-7-10-21(30)11-8-19;1-16-3-5-17(6-4-16)11-21-25(29)20-12-18(7-9-22(20)36-26(21)30)27(38,24-14-34-15-37(24)2)19-8-10-23(35-13-19)28(31,32)33;1-14-24(39-15(2)33-14)26(37,22-13-32-35-36(22)3)18-9-10-21-19(12-18)23(28)20(25(34-21)38-4)11-16-5-7-17(8-6-16)27(29,30)31/h6-18,20,22-23,44H,4-5,19H2,1-3H3;4-14,16-17,40H,15H2,1-3H3;3-12,14-16,38H,13H2,1-2H3;3-10,12-15,38H,11H2,1-2H3;5-10,12-13,37H,11H2,1-4H3.

What are the key properties of [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 2860.86 g/mol, XLogP of 32.45, 32 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 160989869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).