(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-pyrrolidin-1-ylethenyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

C93H102Cl4F2N18O9 — CID 159500353

About (4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-pyrrolidin-1-ylethenyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-pyrrolidin-1-ylethenyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 159500353) has the molecular formula C93H102Cl4F2N18O9 and a molecular weight of 1795.76 g/mol. Its IUPAC name is (4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-pyrrolidin-1-ylethenyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

• Compound Name: (4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-pyrrolidin-1-ylethenyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
• PubChem CID: 159500353
• Molecular Formula: C93H102Cl4F2N18O9
• Molecular Weight: 1795.76 g/mol
• Exact Mass: 1792.68
• IUPAC Name: (4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-pyrrolidin-1-ylethenyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
• SMILES: C=C(c1c(OC)nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c1Cl)N1CCCC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(=O)NCC(C)(F)F.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1C1CCCC1.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CC(C)C
• InChI: InChI=1S/C27H29ClN6O2.C25H25ClF2N6O3.C21H24ClN3O2.C20H24ClN3O2/c1-16-8-10-21(17(2)30-16)27(35,23-15-29-32-33(23)4)19-9-11-22-20(14-19)25(28)24(26(31-22)36-5)18(3)34-12-6-7-13-34;1-13-6-8-17(14(2)31-13)25(36,19-11-30-33-34(19)4)15-7-9-18-16(10-15)21(26)20(23(32-18)37-5)22(35)29-12-24(3,27)28;1-12-23-11-17(25(12)2)20(26)14-8-9-16-15(10-14)19(22)18(21(24-16)27-3)13-6-4-5-7-13;1-11(2)8-15-18(21)14-9-13(6-7-16(14)23-20(15)26-5)19(25)17-10-22-12(3)24(17)4/h8-11,14-15,35H,3,6-7,12-13H2,1-2,4-5H3;6-11,36H,12H2,1-5H3,(H,29,35);8-11,13,20,26H,4-7H2,1-3H3;6-7,9-11,19,25H,8H2,1-5H3
• InChIKey: LZHPAYHCNHOULI-UHFFFAOYSA-N
• XLogP: 16.99
• TPSA: 324.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1795.76
LogP ≤ 5	16.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-pyrrolidin-1-ylethenyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The IUPAC name of (4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-pyrrolidin-1-ylethenyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (CID 159500353) is (4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-pyrrolidin-1-ylethenyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

What is the SMILES notation for (4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-pyrrolidin-1-ylethenyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The canonical SMILES for (4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-pyrrolidin-1-ylethenyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is C=C(c1c(OC)nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c1Cl)N1CCCC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(=O)NCC(C)(F)F.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1C1CCCC1.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CC(C)C.

What is the InChIKey of (4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-pyrrolidin-1-ylethenyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The InChIKey is LZHPAYHCNHOULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN6O2.C25H25ClF2N6O3.C21H24ClN3O2.C20H24ClN3O2/c1-16-8-10-21(17(2)30-16)27(35,23-15-29-32-33(23)4)19-9-11-22-20(14-19)25(28)24(26(31-22)36-5)18(3)34-12-6-7-13-34;1-13-6-8-17(14(2)31-13)25(36,19-11-30-33-34(19)4)15-7-9-18-16(10-15)21(26)20(23(32-18)37-5)22(35)29-12-24(3,27)28;1-12-23-11-17(25(12)2)20(26)14-8-9-16-15(10-14)19(22)18(21(24-16)27-3)13-6-4-5-7-13;1-11(2)8-15-18(21)14-9-13(6-7-16(14)23-20(15)26-5)19(25)17-10-22-12(3)24(17)4/h8-11,14-15,35H,3,6-7,12-13H2,1-2,4-5H3;6-11,36H,12H2,1-5H3,(H,29,35);8-11,13,20,26H,4-7H2,1-3H3;6-7,9-11,19,25H,8H2,1-5H3.

What are the key properties of (4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-pyrrolidin-1-ylethenyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-pyrrolidin-1-ylethenyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 1795.76 g/mol, XLogP of 16.99, 22 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-pyrrolidin-1-ylethenyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 159500353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).