[4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile

C156H161Cl3F15N33O15 — CID 160795230

IUPAC[4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile
SMILESCCOc1c(OC)nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c1C#N.CCOc1c(OC)nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c1C#N.CC[C@@H](NCc1c(OC)nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c1Cl)C(F)(F)F.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(C#N)c1OCC1CC1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNC(C)(C)C(F)(F)F.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C30H36ClF3N6O2.2C26H30ClF3N6O2.C26H22F3N5O3.C24H20F3N5O3.C24H23N5O3/c1-17-36-15-25(39(17)3)29(41,26-16-37-18(2)40(26)4)21-10-11-24-22(12-21)27(31)23(28(38-24)42-5)14-35-13-19-6-8-20(9-7-19)30(32,33)34;1-14-31-12-20(35(14)5)25(37,21-13-32-15(2)36(21)6)16-8-9-19-17(10-16)22(27)18(23(34-19)38-7)11-33-24(3,4)26(28,29)30;1-7-20(26(28,29)30)33-11-18-23(27)17-10-16(8-9-19(17)34-24(18)38-6)25(37,21-12-31-14(2)35(21)4)22-13-32-15(3)36(22)5;1-34-14-31-12-22(34)25(35,17-7-8-32-21(10-17)26(27,28)29)16-5-6-20-18(9-16)19(11-30)23(24(33-20)36-2)37-13-15-3-4-15;1-4-35-21-17(11-28)16-9-14(5-6-18(16)31-22(21)34-3)23(33,20-12-29-13-32(20)2)15-7-8-30-19(10-15)24(25,26)27;1-5-32-22-19(11-25)18-10-16(8-9-20(18)28-23(22)31-4)24(30,21-13-26-14-29(21)3)17-7-6-15(2)27-12-17/h10-12,15-16,19-20,35,41H,6-9,13-14H2,1-5H3;8-10,12-13,33,37H,11H2,1-7H3;8-10,12-13,20,33,37H,7,11H2,1-6H3;5-10,12,14-15,35H,3-4,13H2,1-2H3;5-10,12-13,33H,4H2,1-3H3;6-10,12-14,30H,5H2,1-4H3/t;;20-;;;/m..1.../s1
InChIKeySCIWMOZXMYXWCN-HRKAIKAZSA-N
MW3129.55 g/mol
LogP26.63
Rot. Bonds42

About [4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile

[4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile (PubChem CID 160795230) has the molecular formula C156H161Cl3F15N33O15 and a molecular weight of 3129.55 g/mol. Its IUPAC name is [4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile.

Molecular Properties

Compound Name[4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile
PubChem CID160795230
Molecular FormulaC156H161Cl3F15N33O15
Molecular Weight3129.55 g/mol
Exact Mass3126.17
IUPAC Name[4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile
SMILESCCOc1c(OC)nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c1C#N.CCOc1c(OC)nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c1C#N.CC[C@@H](NCc1c(OC)nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c1Cl)C(F)(F)F.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(C#N)c1OCC1CC1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNC(C)(C)C(F)(F)F.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C30H36ClF3N6O2.2C26H30ClF3N6O2.C26H22F3N5O3.C24H20F3N5O3.C24H23N5O3/c1-17-36-15-25(39(17)3)29(41,26-16-37-18(2)40(26)4)21-10-11-24-22(12-21)27(31)23(28(38-24)42-5)14-35-13-19-6-8-20(9-7-19)30(32,33)34;1-14-31-12-20(35(14)5)25(37,21-13-32-15(2)36(21)6)16-8-9-19-17(10-16)22(27)18(23(34-19)38-7)11-33-24(3,4)26(28,29)30;1-7-20(26(28,29)30)33-11-18-23(27)17-10-16(8-9-19(17)34-24(18)38-6)25(37,21-12-31-14(2)35(21)4)22-13-32-15(3)36(22)5;1-34-14-31-12-22(34)25(35,17-7-8-32-21(10-17)26(27,28)29)16-5-6-20-18(9-16)19(11-30)23(24(33-20)36-2)37-13-15-3-4-15;1-4-35-21-17(11-28)16-9-14(5-6-18(16)31-22(21)34-3)23(33,20-12-29-13-32(20)2)15-7-8-30-19(10-15)24(25,26)27;1-5-32-22-19(11-25)18-10-16(8-9-20(18)28-23(22)31-4)24(30,21-13-26-14-29(21)3)17-7-6-15(2)27-12-17/h10-12,15-16,19-20,35,41H,6-9,13-14H2,1-5H3;8-10,12-13,33,37H,11H2,1-7H3;8-10,12-13,20,33,37H,7,11H2,1-6H3;5-10,12,14-15,35H,3-4,13H2,1-2H3;5-10,12-13,33H,4H2,1-3H3;6-10,12-14,30H,5H2,1-4H3/t;;20-;;;/m..1.../s1
InChIKeySCIWMOZXMYXWCN-HRKAIKAZSA-N
XLogP26.63
TPSA588.30 Ų
H-Bond Donors9
H-Bond Acceptors48
Rotatable Bonds42
Heavy Atoms222
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003129.55
LogP ≤ 526.63
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1048

Analyze [4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?
The IUPAC name of [4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile (CID 160795230) is [4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile.
What is the SMILES notation for [4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?
The canonical SMILES for [4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile is CCOc1c(OC)nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c1C#N.CCOc1c(OC)nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c1C#N.CC[C@@H](NCc1c(OC)nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c1Cl)C(F)(F)F.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(C#N)c1OCC1CC1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNC(C)(C)C(F)(F)F.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNCC1CCC(C(F)(F)F)CC1.
What is the InChIKey of [4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?
The InChIKey is SCIWMOZXMYXWCN-HRKAIKAZSA-N. The full InChI is InChI=1S/C30H36ClF3N6O2.2C26H30ClF3N6O2.C26H22F3N5O3.C24H20F3N5O3.C24H23N5O3/c1-17-36-15-25(39(17)3)29(41,26-16-37-18(2)40(26)4)21-10-11-24-22(12-21)27(31)23(28(38-24)42-5)14-35-13-19-6-8-20(9-7-19)30(32,33)34;1-14-31-12-20(35(14)5)25(37,21-13-32-15(2)36(21)6)16-8-9-19-17(10-16)22(27)18(23(34-19)38-7)11-33-24(3,4)26(28,29)30;1-7-20(26(28,29)30)33-11-18-23(27)17-10-16(8-9-19(17)34-24(18)38-6)25(37,21-12-31-14(2)35(21)4)22-13-32-15(3)36(22)5;1-34-14-31-12-22(34)25(35,17-7-8-32-21(10-17)26(27,28)29)16-5-6-20-18(9-16)19(11-30)23(24(33-20)36-2)37-13-15-3-4-15;1-4-35-21-17(11-28)16-9-14(5-6-18(16)31-22(21)34-3)23(33,20-12-29-13-32(20)2)15-7-8-30-19(10-15)24(25,26)27;1-5-32-22-19(11-25)18-10-16(8-9-20(18)28-23(22)31-4)24(30,21-13-26-14-29(21)3)17-7-6-15(2)27-12-17/h10-12,15-16,19-20,35,41H,6-9,13-14H2,1-5H3;8-10,12-13,33,37H,11H2,1-7H3;8-10,12-13,20,33,37H,7,11H2,1-6H3;5-10,12,14-15,35H,3-4,13H2,1-2H3;5-10,12-13,33H,4H2,1-3H3;6-10,12-14,30H,5H2,1-4H3/t;;20-;;;/m..1.../s1.
What are the key properties of [4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?
[4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile has a molecular weight of 3129.55 g/mol, XLogP of 26.63, 42 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile is sourced from PubChem (CID 160795230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).