[2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-cyclopropyl-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;4-chloro-N-cyclopropyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-3-[1-(dimethylamino)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol

C145H141Cl7F9N33O12 — CID 157051315

About [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-cyclopropyl-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;4-chloro-N-cyclopropyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-3-[1-(dimethylamino)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol

[2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-cyclopropyl-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;4-chloro-N-cyclopropyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-3-[1-(dimethylamino)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol (PubChem CID 157051315) has the molecular formula C145H141Cl7F9N33O12 and a molecular weight of 2957.09 g/mol. Its IUPAC name is [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-cyclopropyl-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;4-chloro-N-cyclopropyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-3-[1-(dimethylamino)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol.

Molecular Properties

• Compound Name: [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-cyclopropyl-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;4-chloro-N-cyclopropyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-3-[1-(dimethylamino)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol
• PubChem CID: 157051315
• Molecular Formula: C145H141Cl7F9N33O12
• Molecular Weight: 2957.09 g/mol
• Exact Mass: 2951.91
• IUPAC Name: [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-cyclopropyl-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;4-chloro-N-cyclopropyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-3-[1-(dimethylamino)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol
• SMILES: C=C(c1c(OC)nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c1Cl)N(C)C.CCc1c(Cl)nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1C(=O)NC1CC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(=O)NC1CC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC(F)(F)F.Cc1ccc(C(O)(c2ccc3nc(N4CCC4)c(CC(F)(F)F)c(Cl)c3c2)c2cnnn2C)c(C)n1
• InChI: InChI=1S/C25H24ClF3N6O.C25H21ClF3N5O3.C25H25ClN6O3.C25H27ClN6O2.C23H21ClF3N5O2.C22H23Cl2N5O/c1-14-5-7-19(15(2)31-14)25(36,21-13-30-33-34(21)3)16-6-8-20-17(11-16)22(26)18(12-24(27,28)29)23(32-20)35-9-4-10-35;1-34-12-30-11-19(34)24(36,14-4-8-18(31-10-14)25(27,28)29)13-3-7-17-16(9-13)21(26)20(23(33-17)37-2)22(35)32-15-5-6-15;1-13-5-9-18(14(2)28-13)25(34,20-12-27-31-32(20)3)15-6-10-19-17(11-15)22(26)21(24(30-19)35-4)23(33)29-16-7-8-16;1-14-8-10-19(15(2)28-14)25(33,21-13-27-30-32(21)6)17-9-11-20-18(12-17)23(26)22(16(3)31(4)5)24(29-20)34-7;1-12-5-7-17(13(2)29-12)23(33,19-11-28-31-32(19)3)14-6-8-18-15(9-14)20(24)16(10-22(25,26)27)21(30-18)34-4;1-6-15-20(23)16-9-14(7-8-17(16)27-21(15)24)22(30,18-10-25-12(2)28(18)4)19-11-26-13(3)29(19)5/h5-8,11,13,36H,4,9-10,12H2,1-3H3;3-4,7-12,15,36H,5-6H2,1-2H3,(H,32,35);5-6,9-12,16,34H,7-8H2,1-4H3,(H,29,33);8-13,33H,3H2,1-2,4-7H3;5-9,11,33H,10H2,1-4H3;7-11,30H,6H2,1-5H3
• InChIKey: AAFWUYXILRPGSD-UHFFFAOYSA-N
• XLogP: 24.81
• TPSA: 541.07 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 32
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2957.09
LogP ≤ 5	24.81
H-Bond Donors ≤ 5	8
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-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-cyclopropyl-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;4-chloro-N-cyclopropyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-3-[1-(dimethylamino)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol?

The IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-cyclopropyl-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;4-chloro-N-cyclopropyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-3-[1-(dimethylamino)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol (CID 157051315) is [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-cyclopropyl-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;4-chloro-N-cyclopropyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-3-[1-(dimethylamino)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol.

What is the SMILES notation for [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-cyclopropyl-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;4-chloro-N-cyclopropyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-3-[1-(dimethylamino)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol?

The canonical SMILES for [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-cyclopropyl-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;4-chloro-N-cyclopropyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-3-[1-(dimethylamino)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol is C=C(c1c(OC)nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c1Cl)N(C)C.CCc1c(Cl)nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1C(=O)NC1CC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(=O)NC1CC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC(F)(F)F.Cc1ccc(C(O)(c2ccc3nc(N4CCC4)c(CC(F)(F)F)c(Cl)c3c2)c2cnnn2C)c(C)n1.

What is the InChIKey of [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-cyclopropyl-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;4-chloro-N-cyclopropyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-3-[1-(dimethylamino)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol?

The InChIKey is AAFWUYXILRPGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3N6O.C25H21ClF3N5O3.C25H25ClN6O3.C25H27ClN6O2.C23H21ClF3N5O2.C22H23Cl2N5O/c1-14-5-7-19(15(2)31-14)25(36,21-13-30-33-34(21)3)16-6-8-20-17(11-16)22(26)18(12-24(27,28)29)23(32-20)35-9-4-10-35;1-34-12-30-11-19(34)24(36,14-4-8-18(31-10-14)25(27,28)29)13-3-7-17-16(9-13)21(26)20(23(33-17)37-2)22(35)32-15-5-6-15;1-13-5-9-18(14(2)28-13)25(34,20-12-27-31-32(20)3)15-6-10-19-17(11-15)22(26)21(24(30-19)35-4)23(33)29-16-7-8-16;1-14-8-10-19(15(2)28-14)25(33,21-13-27-30-32(21)6)17-9-11-20-18(12-17)23(26)22(16(3)31(4)5)24(29-20)34-7;1-12-5-7-17(13(2)29-12)23(33,19-11-28-31-32(19)3)14-6-8-18-15(9-14)20(24)16(10-22(25,26)27)21(30-18)34-4;1-6-15-20(23)16-9-14(7-8-17(16)27-21(15)24)22(30,18-10-25-12(2)28(18)4)19-11-26-13(3)29(19)5/h5-8,11,13,36H,4,9-10,12H2,1-3H3;3-4,7-12,15,36H,5-6H2,1-2H3,(H,32,35);5-6,9-12,16,34H,7-8H2,1-4H3,(H,29,33);8-13,33H,3H2,1-2,4-7H3;5-9,11,33H,10H2,1-4H3;7-11,30H,6H2,1-5H3.

What are the key properties of [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-cyclopropyl-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;4-chloro-N-cyclopropyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-3-[1-(dimethylamino)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol?

[2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-cyclopropyl-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;4-chloro-N-cyclopropyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-3-[1-(dimethylamino)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol has a molecular weight of 2957.09 g/mol, XLogP of 24.81, 32 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-cyclopropyl-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;4-chloro-N-cyclopropyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-3-[1-(dimethylamino)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol is sourced from PubChem (CID 157051315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).