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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol

C112H116Cl5F3N18O14 — CID 158086418

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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol (PubChem CID 158086418) has the molecular formula C112H116Cl5F3N18O14 and a molecular weight of 2172.53 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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol
• PubChem CID: 158086418
• Molecular Formula: C112H116Cl5F3N18O14
• Molecular Weight: 2172.53 g/mol
• Exact Mass: 2168.73
• 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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol
• SMILES: 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)cc2c(Cl)c1CC(C)C.COc1nc2ccc(C(O)c3ccc(C)nc3C)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1OC(C)C
• InChI: InChI=1S/C25H21ClF3N5O3.C25H25ClN6O3.C22H25ClN2O2.C21H23ClN2O3.C19H22ClN3O3/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;1-12(2)10-18-20(23)17-11-15(7-9-19(17)25-22(18)27-5)21(26)16-8-6-13(3)24-14(16)4;1-11(2)27-20-18(22)16-10-14(7-9-17(16)24-21(20)26-5)19(25)15-8-6-12(3)23-13(15)4;1-10(2)26-18-16(20)13-8-12(6-7-14(13)22-19(18)25-5)17(24)15-9-21-11(3)23(15)4/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);6-9,11-12,21,26H,10H2,1-5H3;6-11,19,25H,1-5H3;6-10,17,24H,1-5H3
• InChIKey: FNOMBDGFSMWMMW-UHFFFAOYSA-N
• XLogP: 21.21
• TPSA: 406.32 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2172.53
LogP ≤ 5	21.21
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol (CID 158086418) 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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol is 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)cc2c(Cl)c1CC(C)C.COc1nc2ccc(C(O)c3ccc(C)nc3C)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1OC(C)C.

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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol?

The InChIKey is FNOMBDGFSMWMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3N5O3.C25H25ClN6O3.C22H25ClN2O2.C21H23ClN2O3.C19H22ClN3O3/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;1-12(2)10-18-20(23)17-11-15(7-9-19(17)25-22(18)27-5)21(26)16-8-6-13(3)24-14(16)4;1-11(2)27-20-18(22)16-10-14(7-9-17(16)24-21(20)26-5)19(25)15-8-6-12(3)23-13(15)4;1-10(2)26-18-16(20)13-8-12(6-7-14(13)22-19(18)25-5)17(24)15-9-21-11(3)23(15)4/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);6-9,11-12,21,26H,10H2,1-5H3;6-11,19,25H,1-5H3;6-10,17,24H,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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol has a molecular weight of 2172.53 g/mol, XLogP of 21.21, 27 rotatable bonds, 7 hydrogen bond donors, and 30 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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol is sourced from PubChem (CID 158086418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).