[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

C130H143Cl5F3N29O10 — CID 159140879

About [4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 159140879) has the molecular formula C130H143Cl5F3N29O10 and a molecular weight of 2506.03 g/mol. Its IUPAC name is [4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

• Compound Name: [4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
• PubChem CID: 159140879
• Molecular Formula: C130H143Cl5F3N29O10
• Molecular Weight: 2506.03 g/mol
• Exact Mass: 2502.00
• IUPAC Name: [4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
• SMILES: COc1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(Cl)c1CN1CC(C)C1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CN1CC(C)C1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN1CC(C)C1.COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1CN1CC(C)C1
• InChI: InChI=1S/C28H33ClN6O2.C26H25ClF3N5O2.C26H29ClN6O2.C26H28ClN5O2.C24H28ClN7O2/c1-17-10-12-35(13-11-17)16-22-26(29)21-14-20(7-9-24(21)32-27(22)37-5)28(36,25-15-30-33-34(25)4)23-8-6-18(2)31-19(23)3;1-15-11-35(12-15)13-19-23(27)18-8-16(4-5-20(18)33-24(19)37-3)25(36,22-10-31-14-34(22)2)17-6-7-32-21(9-17)26(28,29)30;1-15-12-33(13-15)14-20-24(27)19-10-18(7-9-22(19)30-25(20)35-5)26(34,23-11-28-31-32(23)4)21-8-6-16(2)29-17(21)3;1-16-12-32(13-16)14-21-24(27)20-9-18(7-8-22(20)30-25(21)34-4)26(33,23-11-28-15-31(23)3)19-6-5-17(2)29-10-19;1-14-11-32(12-14)13-18-22(25)17-8-16(6-7-19(17)28-23(18)34-5)24(33,21-10-27-29-31(21)4)20-9-26-15(2)30(20)3/h6-9,14-15,17,36H,10-13,16H2,1-5H3;4-10,14-15,36H,11-13H2,1-3H3;6-11,15,34H,12-14H2,1-5H3;5-11,15-16,33H,12-14H2,1-4H3;6-10,14,33H,11-13H2,1-5H3
• InChIKey: KIBRMTXVVGMJLQ-UHFFFAOYSA-N
• XLogP: 19.98
• TPSA: 425.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 30
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2506.03
LogP ≤ 5	19.98
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The IUPAC name of [4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (CID 159140879) is [4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)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-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The canonical SMILES for [4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is COc1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(Cl)c1CN1CC(C)C1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CN1CC(C)C1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN1CC(C)C1.COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1CN1CC(C)C1.

What is the InChIKey of [4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The InChIKey is KIBRMTXVVGMJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN6O2.C26H25ClF3N5O2.C26H29ClN6O2.C26H28ClN5O2.C24H28ClN7O2/c1-17-10-12-35(13-11-17)16-22-26(29)21-14-20(7-9-24(21)32-27(22)37-5)28(36,25-15-30-33-34(25)4)23-8-6-18(2)31-19(23)3;1-15-11-35(12-15)13-19-23(27)18-8-16(4-5-20(18)33-24(19)37-3)25(36,22-10-31-14-34(22)2)17-6-7-32-21(9-17)26(28,29)30;1-15-12-33(13-15)14-20-24(27)19-10-18(7-9-22(19)30-25(20)35-5)26(34,23-11-28-31-32(23)4)21-8-6-16(2)29-17(21)3;1-16-12-32(13-16)14-21-24(27)20-9-18(7-8-22(20)30-25(21)34-4)26(33,23-11-28-15-31(23)3)19-6-5-17(2)29-10-19;1-14-11-32(12-14)13-18-22(25)17-8-16(6-7-19(17)28-23(18)34-5)24(33,21-10-27-29-31(21)4)20-9-26-15(2)30(20)3/h6-9,14-15,17,36H,10-13,16H2,1-5H3;4-10,14-15,36H,11-13H2,1-3H3;6-11,15,34H,12-14H2,1-5H3;5-11,15-16,33H,12-14H2,1-4H3;6-10,14,33H,11-13H2,1-5H3.

What are the key properties of [4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 2506.03 g/mol, XLogP of 19.98, 30 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 159140879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).