tert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol

C191H216Cl8F3N29O19 — CID 157264445

IUPACtert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol
SMILESCOc1nc2ccc(C(C)(O)c3ccc(C)nc3C)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(Cl)c1CCC1CCCCC1.COc1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(Cl)c1CCC1CCN(C(=O)OC(C)(C)C)CC1.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)C3CN(C(=O)OC(C)(C)C)C3)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CN1CCC(n2cccn2)CC1.Cc1ccc(C(O)(c2ccc3nc(Cl)c(OCc4ccccc4)c(Cl)c3c2)c2cncn2C)cn1
InChIInChI=1S/C33H40ClN5O4.C32H38ClF3N4O4.C29H33ClN4O2.C27H22Cl2N4O2.C25H29ClN6O2.C23H29ClN4O2.C22H25ClN2O3/c1-21-7-9-24(18-36-21)33(41,28-19-35-20-38(28)5)23-10-12-27-26(17-23)29(34)25(30(37-27)42-6)11-8-22-13-15-39(16-14-22)31(40)43-32(2,3)4;1-19-9-12-39(13-10-19)18-24-27(33)23-14-20(6-7-25(23)38-28(24)43-5)31(42,21-8-11-37-26(15-21)32(34,35)36)22-16-40(17-22)29(41)44-30(2,3)4;1-19-9-11-22(16-32-19)29(35,26-17-31-18-34(26)2)21-12-14-25-24(15-21)27(30)23(28(33-25)36-3)13-10-20-7-5-4-6-8-20;1-17-8-9-20(13-31-17)27(34,23-14-30-16-33(23)2)19-10-11-22-21(12-19)24(28)25(26(29)32-22)35-15-18-6-4-3-5-7-18;1-16-27-14-22(30(16)2)24(33)17-5-6-21-19(13-17)23(26)20(25(29-21)34-3)15-31-11-7-18(8-12-31)32-10-4-9-28-32;1-14-7-9-28(10-8-14)13-18-21(24)17-11-16(5-6-19(17)26-23(18)30-4)22(29)20-12-25-15(2)27(20)3;1-12(2)28-20-19(23)16-11-15(8-10-18(16)25-21(20)27-6)22(5,26)17-9-7-13(3)24-14(17)4/h7,9-10,12,17-20,22,41H,8,11,13-16H2,1-6H3;6-8,11,14-15,19,22,42H,9-10,12-13,16-18H2,1-5H3;9,11-12,14-18,20,35H,4-8,10,13H2,1-3H3;3-14,16,34H,15H2,1-2H3;4-6,9-10,13-14,18,24,33H,7-8,11-12,15H2,1-3H3;5-6,11-12,14,22,29H,7-10,13H2,1-4H3;7-12,26H,1-6H3
InChIKeyAXVKIAOSUQWWTK-UHFFFAOYSA-N
MW3562.63 g/mol
LogP38.07
Rot. Bonds42

About tert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol

tert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol (PubChem CID 157264445) has the molecular formula C191H216Cl8F3N29O19 and a molecular weight of 3562.63 g/mol. Its IUPAC name is tert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Nametert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol
PubChem CID157264445
Molecular FormulaC191H216Cl8F3N29O19
Molecular Weight3562.63 g/mol
Exact Mass3556.43
IUPAC Nametert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol
SMILESCOc1nc2ccc(C(C)(O)c3ccc(C)nc3C)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(Cl)c1CCC1CCCCC1.COc1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(Cl)c1CCC1CCN(C(=O)OC(C)(C)C)CC1.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)C3CN(C(=O)OC(C)(C)C)C3)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CN1CCC(n2cccn2)CC1.Cc1ccc(C(O)(c2ccc3nc(Cl)c(OCc4ccccc4)c(Cl)c3c2)c2cncn2C)cn1
InChIInChI=1S/C33H40ClN5O4.C32H38ClF3N4O4.C29H33ClN4O2.C27H22Cl2N4O2.C25H29ClN6O2.C23H29ClN4O2.C22H25ClN2O3/c1-21-7-9-24(18-36-21)33(41,28-19-35-20-38(28)5)23-10-12-27-26(17-23)29(34)25(30(37-27)42-6)11-8-22-13-15-39(16-14-22)31(40)43-32(2,3)4;1-19-9-12-39(13-10-19)18-24-27(33)23-14-20(6-7-25(23)38-28(24)43-5)31(42,21-8-11-37-26(15-21)32(34,35)36)22-16-40(17-22)29(41)44-30(2,3)4;1-19-9-11-22(16-32-19)29(35,26-17-31-18-34(26)2)21-12-14-25-24(15-21)27(30)23(28(33-25)36-3)13-10-20-7-5-4-6-8-20;1-17-8-9-20(13-31-17)27(34,23-14-30-16-33(23)2)19-10-11-22-21(12-19)24(28)25(26(29)32-22)35-15-18-6-4-3-5-7-18;1-16-27-14-22(30(16)2)24(33)17-5-6-21-19(13-17)23(26)20(25(29-21)34-3)15-31-11-7-18(8-12-31)32-10-4-9-28-32;1-14-7-9-28(10-8-14)13-18-21(24)17-11-16(5-6-19(17)26-23(18)30-4)22(29)20-12-25-15(2)27(20)3;1-12(2)28-20-19(23)16-11-15(8-10-18(16)25-21(20)27-6)22(5,26)17-9-7-13(3)24-14(17)4/h7,9-10,12,17-20,22,41H,8,11,13-16H2,1-6H3;6-8,11,14-15,19,22,42H,9-10,12-13,16-18H2,1-5H3;9,11-12,14-18,20,35H,4-8,10,13H2,1-3H3;3-14,16,34H,15H2,1-2H3;4-6,9-10,13-14,18,24,33H,7-8,11-12,15H2,1-3H3;5-6,11-12,14,22,29H,7-10,13H2,1-4H3;7-12,26H,1-6H3
InChIKeyAXVKIAOSUQWWTK-UHFFFAOYSA-N
XLogP38.07
TPSA545.85 Ų
H-Bond Donors7
H-Bond Acceptors46
Rotatable Bonds42
Heavy Atoms250
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003562.63
LogP ≤ 538.07
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol?
The IUPAC name of tert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol (CID 157264445) is tert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol.
What is the SMILES notation for tert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol?
The canonical SMILES for tert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol is COc1nc2ccc(C(C)(O)c3ccc(C)nc3C)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(Cl)c1CCC1CCCCC1.COc1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(Cl)c1CCC1CCN(C(=O)OC(C)(C)C)CC1.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)C3CN(C(=O)OC(C)(C)C)C3)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CN1CCC(n2cccn2)CC1.Cc1ccc(C(O)(c2ccc3nc(Cl)c(OCc4ccccc4)c(Cl)c3c2)c2cncn2C)cn1.
What is the InChIKey of tert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol?
The InChIKey is AXVKIAOSUQWWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40ClN5O4.C32H38ClF3N4O4.C29H33ClN4O2.C27H22Cl2N4O2.C25H29ClN6O2.C23H29ClN4O2.C22H25ClN2O3/c1-21-7-9-24(18-36-21)33(41,28-19-35-20-38(28)5)23-10-12-27-26(17-23)29(34)25(30(37-27)42-6)11-8-22-13-15-39(16-14-22)31(40)43-32(2,3)4;1-19-9-12-39(13-10-19)18-24-27(33)23-14-20(6-7-25(23)38-28(24)43-5)31(42,21-8-11-37-26(15-21)32(34,35)36)22-16-40(17-22)29(41)44-30(2,3)4;1-19-9-11-22(16-32-19)29(35,26-17-31-18-34(26)2)21-12-14-25-24(15-21)27(30)23(28(33-25)36-3)13-10-20-7-5-4-6-8-20;1-17-8-9-20(13-31-17)27(34,23-14-30-16-33(23)2)19-10-11-22-21(12-19)24(28)25(26(29)32-22)35-15-18-6-4-3-5-7-18;1-16-27-14-22(30(16)2)24(33)17-5-6-21-19(13-17)23(26)20(25(29-21)34-3)15-31-11-7-18(8-12-31)32-10-4-9-28-32;1-14-7-9-28(10-8-14)13-18-21(24)17-11-16(5-6-19(17)26-23(18)30-4)22(29)20-12-25-15(2)27(20)3;1-12(2)28-20-19(23)16-11-15(8-10-18(16)25-21(20)27-6)22(5,26)17-9-7-13(3)24-14(17)4/h7,9-10,12,17-20,22,41H,8,11,13-16H2,1-6H3;6-8,11,14-15,19,22,42H,9-10,12-13,16-18H2,1-5H3;9,11-12,14-18,20,35H,4-8,10,13H2,1-3H3;3-14,16,34H,15H2,1-2H3;4-6,9-10,13-14,18,24,33H,7-8,11-12,15H2,1-3H3;5-6,11-12,14,22,29H,7-10,13H2,1-4H3;7-12,26H,1-6H3.
What are the key properties of tert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol?
tert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol has a molecular weight of 3562.63 g/mol, XLogP of 38.07, 42 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate;[4-chloro-3-(2-cyclohexylethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 157264445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).