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-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-N,N-dimethylquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-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

C142H138Cl7F9N32O14 — CID 158427082

About 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-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-N,N-dimethylquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-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

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-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-N,N-dimethylquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-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 158427082) has the molecular formula C142H138Cl7F9N32O14 and a molecular weight of 2936.03 g/mol. Its IUPAC name is 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-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-N,N-dimethylquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-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: 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-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-N,N-dimethylquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-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: 158427082
• Molecular Formula: C142H138Cl7F9N32O14
• Molecular Weight: 2936.03 g/mol
• Exact Mass: 2930.87
• IUPAC Name: 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-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-N,N-dimethylquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-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: 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)N(C)C.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.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CC(F)(F)F
• InChI: InChI=1S/C25H21ClF3N5O3.C25H25ClN6O3.C24H25ClN6O3.C23H23ClF3N5O2.C23H21ClF3N5O2.C22H23Cl2N5O/c1-34-12-30-11-19(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;1-13-7-9-17(14(2)27-13)24(33,19-12-26-29-31(19)5)15-8-10-18-16(11-15)21(25)20(22(28-18)34-6)23(32)30(3)4;1-12-28-10-18(31(12)3)23(33,19-11-29-13(2)32(19)4)14-6-7-17-15(8-14)20(24)16(9-22(25,26)27)21(30-17)34-5;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/h3-4,7-12,15,36H,5-6H2,1-2H3,(H,32,35);5-6,9-12,16,34H,7-8H2,1-4H3,(H,29,33);7-12,33H,1-6H3;6-8,10-11,33H,9H2,1-5H3;5-9,11,33H,10H2,1-4H3;7-11,30H,6H2,1-5H3
• InChIKey: HBELJGVPRCWRFB-UHFFFAOYSA-N
• XLogP: 23.73
• TPSA: 556.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 31
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2936.03
LogP ≤ 5	23.73
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 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-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-N,N-dimethylquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-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 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-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-N,N-dimethylquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-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 158427082) is 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-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-N,N-dimethylquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-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 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-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-N,N-dimethylquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-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 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-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-N,N-dimethylquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-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 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)N(C)C.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.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CC(F)(F)F.

What is the InChIKey of 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-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-N,N-dimethylquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-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 HBELJGVPRCWRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3N5O3.C25H25ClN6O3.C24H25ClN6O3.C23H23ClF3N5O2.C23H21ClF3N5O2.C22H23Cl2N5O/c1-34-12-30-11-19(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;1-13-7-9-17(14(2)27-13)24(33,19-12-26-29-31(19)5)15-8-10-18-16(11-15)21(25)20(22(28-18)34-6)23(32)30(3)4;1-12-28-10-18(31(12)3)23(33,19-11-29-13(2)32(19)4)14-6-7-17-15(8-14)20(24)16(9-22(25,26)27)21(30-17)34-5;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/h3-4,7-12,15,36H,5-6H2,1-2H3,(H,32,35);5-6,9-12,16,34H,7-8H2,1-4H3,(H,29,33);7-12,33H,1-6H3;6-8,10-11,33H,9H2,1-5H3;5-9,11,33H,10H2,1-4H3;7-11,30H,6H2,1-5H3.

What are the key properties of 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-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-N,N-dimethylquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-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?

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-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-N,N-dimethylquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-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 2936.03 g/mol, XLogP of 23.73, 31 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 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-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-N,N-dimethylquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-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 158427082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).