(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(oxan-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-ylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

C178H197Cl7F6N36O15 — CID 158135748

IUPAC(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(oxan-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-ylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
SMILESCOc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(C)C.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C1CCCC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC(C)C.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)C3CCOCC3)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cnnn3C)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1C1CCCC1.COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1CC(C)C
InChIInChI=1S/C29H33ClF3N3O3.C27H28ClF3N6O2.C26H28ClN5O2.C25H28ClN5O2.C24H27ClN6O2.C24H26ClN5O2.C23H27ClN6O2/c1-18-6-11-36(12-7-18)17-23-26(30)22-15-20(3-4-24(22)35-27(23)38-2)28(37,19-8-13-39-14-9-19)21-5-10-34-25(16-21)29(31,32)33;1-16-7-10-37(11-8-16)15-20-24(28)19-12-17(4-5-21(19)34-25(20)39-3)26(38,23-14-33-35-36(23)2)18-6-9-32-22(13-18)27(29,30)31;1-15-9-11-20(16(2)29-15)26(33,22-14-28-31-32(22)3)18-10-12-21-19(13-18)24(27)23(25(30-21)34-4)17-7-5-6-8-17;1-14(2)11-19-23(26)18-12-17(8-10-21(18)29-24(19)33-6)25(32,22-13-27-30-31(22)5)20-9-7-15(3)28-16(20)4;1-14-26-12-19(30(14)2)24(32,20-13-27-29-31(20)3)16-9-10-18-17(11-16)22(25)21(23(28-18)33-4)15-7-5-6-8-15;1-13(2)21-22(25)17-11-16(8-10-19(17)28-23(21)32-6)24(31,20-12-26-29-30(20)5)18-9-7-14(3)27-15(18)4;1-13(2)9-17-21(24)16-10-15(7-8-18(16)27-22(17)32-6)23(31,20-12-26-28-30(20)5)19-11-25-14(3)29(19)4/h3-5,10,15-16,18-19,37H,6-9,11-14,17H2,1-2H3;4-6,9,12-14,16,38H,7-8,10-11,15H2,1-3H3;9-14,17,33H,5-8H2,1-4H3;7-10,12-14,32H,11H2,1-6H3;9-13,15,32H,5-8H2,1-4H3;7-13,31H,1-6H3;7-8,10-13,31H,9H2,1-6H3
InChIKeyFTIBJBLHVMUOCE-UHFFFAOYSA-N
MW3442.93 g/mol
LogP32.66
Rot. Bonds39

About (4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(oxan-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-ylquinolin-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)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(oxan-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-ylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 158135748) has the molecular formula C178H197Cl7F6N36O15 and a molecular weight of 3442.93 g/mol. Its IUPAC name is (4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(oxan-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-ylquinolin-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)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(oxan-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-ylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
PubChem CID158135748
Molecular FormulaC178H197Cl7F6N36O15
Molecular Weight3442.93 g/mol
Exact Mass3437.35
IUPAC Name(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(oxan-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-ylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
SMILESCOc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(C)C.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C1CCCC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC(C)C.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)C3CCOCC3)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cnnn3C)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1C1CCCC1.COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1CC(C)C
InChIInChI=1S/C29H33ClF3N3O3.C27H28ClF3N6O2.C26H28ClN5O2.C25H28ClN5O2.C24H27ClN6O2.C24H26ClN5O2.C23H27ClN6O2/c1-18-6-11-36(12-7-18)17-23-26(30)22-15-20(3-4-24(22)35-27(23)38-2)28(37,19-8-13-39-14-9-19)21-5-10-34-25(16-21)29(31,32)33;1-16-7-10-37(11-8-16)15-20-24(28)19-12-17(4-5-21(19)34-25(20)39-3)26(38,23-14-33-35-36(23)2)18-6-9-32-22(13-18)27(29,30)31;1-15-9-11-20(16(2)29-15)26(33,22-14-28-31-32(22)3)18-10-12-21-19(13-18)24(27)23(25(30-21)34-4)17-7-5-6-8-17;1-14(2)11-19-23(26)18-12-17(8-10-21(18)29-24(19)33-6)25(32,22-13-27-30-31(22)5)20-9-7-15(3)28-16(20)4;1-14-26-12-19(30(14)2)24(32,20-13-27-29-31(20)3)16-9-10-18-17(11-16)22(25)21(23(28-18)33-4)15-7-5-6-8-15;1-13(2)21-22(25)17-11-16(8-10-19(17)28-23(21)32-6)24(31,20-12-26-29-30(20)5)18-9-7-14(3)27-15(18)4;1-13(2)9-17-21(24)16-10-15(7-8-18(16)27-22(17)32-6)23(31,20-12-26-28-30(20)5)19-11-25-14(3)29(19)4/h3-5,10,15-16,18-19,37H,6-9,11-14,17H2,1-2H3;4-6,9,12-14,16,38H,7-8,10-11,15H2,1-3H3;9-14,17,33H,5-8H2,1-4H3;7-10,12-14,32H,11H2,1-6H3;9-13,15,32H,5-8H2,1-4H3;7-13,31H,1-6H3;7-8,10-13,31H,9H2,1-6H3
InChIKeyFTIBJBLHVMUOCE-UHFFFAOYSA-N
XLogP32.66
TPSA596.51 Ų
H-Bond Donors7
H-Bond Acceptors51
Rotatable Bonds39
Heavy Atoms242
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003442.93
LogP ≤ 532.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1051

Analyze (4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(oxan-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-ylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(oxan-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-ylquinolin-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)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(oxan-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-ylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (CID 158135748) is (4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(oxan-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-ylquinolin-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)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(oxan-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-ylquinolin-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)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(oxan-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-ylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(C)C.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C1CCCC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC(C)C.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)C3CCOCC3)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cnnn3C)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1C1CCCC1.COc1nc2ccc(C(O)(c3cnnn3C)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)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(oxan-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-ylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is FTIBJBLHVMUOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClF3N3O3.C27H28ClF3N6O2.C26H28ClN5O2.C25H28ClN5O2.C24H27ClN6O2.C24H26ClN5O2.C23H27ClN6O2/c1-18-6-11-36(12-7-18)17-23-26(30)22-15-20(3-4-24(22)35-27(23)38-2)28(37,19-8-13-39-14-9-19)21-5-10-34-25(16-21)29(31,32)33;1-16-7-10-37(11-8-16)15-20-24(28)19-12-17(4-5-21(19)34-25(20)39-3)26(38,23-14-33-35-36(23)2)18-6-9-32-22(13-18)27(29,30)31;1-15-9-11-20(16(2)29-15)26(33,22-14-28-31-32(22)3)18-10-12-21-19(13-18)24(27)23(25(30-21)34-4)17-7-5-6-8-17;1-14(2)11-19-23(26)18-12-17(8-10-21(18)29-24(19)33-6)25(32,22-13-27-30-31(22)5)20-9-7-15(3)28-16(20)4;1-14-26-12-19(30(14)2)24(32,20-13-27-29-31(20)3)16-9-10-18-17(11-16)22(25)21(23(28-18)33-4)15-7-5-6-8-15;1-13(2)21-22(25)17-11-16(8-10-19(17)28-23(21)32-6)24(31,20-12-26-29-30(20)5)18-9-7-14(3)27-15(18)4;1-13(2)9-17-21(24)16-10-15(7-8-18(16)27-22(17)32-6)23(31,20-12-26-28-30(20)5)19-11-25-14(3)29(19)4/h3-5,10,15-16,18-19,37H,6-9,11-14,17H2,1-2H3;4-6,9,12-14,16,38H,7-8,10-11,15H2,1-3H3;9-14,17,33H,5-8H2,1-4H3;7-10,12-14,32H,11H2,1-6H3;9-13,15,32H,5-8H2,1-4H3;7-13,31H,1-6H3;7-8,10-13,31H,9H2,1-6H3.
What are the key properties of (4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(oxan-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-ylquinolin-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)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(oxan-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-ylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 3442.93 g/mol, XLogP of 32.66, 39 rotatable bonds, 7 hydrogen bond donors, and 51 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)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(oxan-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-ylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 158135748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).