tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol

C134H162Cl5F6N23O14 — CID 158593880

IUPACtert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESCOc1nc2ccc(C(O)(c3ccc(C)nc3)C3CN(C(=O)OC(C)(C)C)C3)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN1CCC(C)(C(F)(F)F)CC1.COc1nc2ccc(C(O)(c3cnnn3C)C3CN(C(=O)OC(C)(C)C)C3)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CN1CC(C)C1.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CN1CCC(C)CC1
InChIInChI=1S/C32H41ClN4O4.C29H28ClF6N5O2.C29H39ClN6O4.C23H29ClN4O2.C21H25ClN4O2/c1-20-11-13-36(14-12-20)19-26-28(33)25-15-22(9-10-27(25)35-29(26)40-6)32(39,23-8-7-21(2)34-16-23)24-17-37(18-24)30(38)41-31(3,4)5;1-26(29(34,35)36)7-10-41(11-8-26)15-20-24(30)19-12-17(4-5-21(19)39-25(20)43-3)27(42,23-14-37-16-40(23)2)18-6-9-38-22(13-18)28(31,32)33;1-18-9-11-35(12-10-18)17-22-25(30)21-13-19(7-8-23(21)32-26(22)39-6)29(38,24-14-31-33-34(24)5)20-15-36(16-20)27(37)40-28(2,3)4;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;1-12-9-26(10-12)11-16-19(22)15-7-14(5-6-17(15)24-21(16)28-4)20(27)18-8-23-13(2)25(18)3/h7-10,15-16,20,24,39H,11-14,17-19H2,1-6H3;4-6,9,12-14,16,42H,7-8,10-11,15H2,1-3H3;7-8,13-14,18,20,38H,9-12,15-17H2,1-6H3;5-6,11-12,14,22,29H,7-10,13H2,1-4H3;5-8,12,20,27H,9-11H2,1-4H3
InChIKeyHUTWITSCHPJYKA-UHFFFAOYSA-N
MW2610.17 g/mol
LogP24.51
Rot. Bonds28

About tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol

tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 158593880) has the molecular formula C134H162Cl5F6N23O14 and a molecular weight of 2610.17 g/mol. Its IUPAC name is tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Nametert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID158593880
Molecular FormulaC134H162Cl5F6N23O14
Molecular Weight2610.17 g/mol
Exact Mass2606.10
IUPAC Nametert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESCOc1nc2ccc(C(O)(c3ccc(C)nc3)C3CN(C(=O)OC(C)(C)C)C3)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN1CCC(C)(C(F)(F)F)CC1.COc1nc2ccc(C(O)(c3cnnn3C)C3CN(C(=O)OC(C)(C)C)C3)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CN1CC(C)C1.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CN1CCC(C)CC1
InChIInChI=1S/C32H41ClN4O4.C29H28ClF6N5O2.C29H39ClN6O4.C23H29ClN4O2.C21H25ClN4O2/c1-20-11-13-36(14-12-20)19-26-28(33)25-15-22(9-10-27(25)35-29(26)40-6)32(39,23-8-7-21(2)34-16-23)24-17-37(18-24)30(38)41-31(3,4)5;1-26(29(34,35)36)7-10-41(11-8-26)15-20-24(30)19-12-17(4-5-21(19)39-25(20)43-3)27(42,23-14-37-16-40(23)2)18-6-9-38-22(13-18)28(31,32)33;1-18-9-11-35(12-10-18)17-22-25(30)21-13-19(7-8-23(21)32-26(22)39-6)29(38,24-14-31-33-34(24)5)20-15-36(16-20)27(37)40-28(2,3)4;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;1-12-9-26(10-12)11-16-19(22)15-7-14(5-6-17(15)24-21(16)28-4)20(27)18-8-23-13(2)25(18)3/h7-10,15-16,20,24,39H,11-14,17-19H2,1-6H3;4-6,9,12-14,16,42H,7-8,10-11,15H2,1-3H3;7-8,13-14,18,20,38H,9-12,15-17H2,1-6H3;5-6,11-12,14,22,29H,7-10,13H2,1-4H3;5-8,12,20,27H,9-11H2,1-4H3
InChIKeyHUTWITSCHPJYKA-UHFFFAOYSA-N
XLogP24.51
TPSA396.98 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds28
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002610.17
LogP ≤ 524.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Analyze tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

[4-Chloro-3-phenyl-2-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 118005596
[4-Chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[2,4-dichloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 118022862
[3-[[[3-[[6-[Bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]quinolin-2-yl]oxymethyl]-5-(trifluoromethyl)cyclohexyl]amino]methyl]-4-chloro-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 129035502
[3-[[[3-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-3-[[[(2S)-1,1,1-trifluoropropan-2-yl]amino]methyl]quinolin-2-yl]oxymethyl]-5-(trifluoromethyl)cyclohexyl]amino]methyl]-4-chloro-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 137481829
[4-Chloro-3-[[4-[4-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]oxymethyl]pyrazol-1-yl]phenyl]methyl]-2-(dimethylamino)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 146259770
[4-Chloro-3-[[4-[3-[[4-chloro-3-[[4-(3,4-dihydropyrazol-2-yl)phenyl]methyl]-6-[hydroxy-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethyl]quinolin-2-yl]oxymethyl]pyrazol-1-yl]phenyl]methyl]-2-(dimethylamino)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 146259870
[2-(azetidin-1-yl)-4-chloro-3-phenylmethoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(3-tert-butyl-2,4-dichloroquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-3-cyclohexyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 157054122
[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]-(2,3-dimethylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;1-[3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(1-methylsulfonylazetidin-3-yl)-(3-methyltriazol-4-yl)methanol
CID 157061409
[2-(Azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 157068483
Azetidin-3-yl-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)methanol;[2,4-bis[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;tert-butyl 3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-hydroxymethyl]azetidine-1-carboxylate;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol
CID 157083889
[2-(Azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[2,4-dichloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-ethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;1-[4-[(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
CID 157105416
N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-methylcyclobutane-1-carboxamide;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]-(2,3-dimethylimidazol-4-yl)-hydroxymethyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-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
CID 157110510

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol (CID 158593880) is tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol is COc1nc2ccc(C(O)(c3ccc(C)nc3)C3CN(C(=O)OC(C)(C)C)C3)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN1CCC(C)(C(F)(F)F)CC1.COc1nc2ccc(C(O)(c3cnnn3C)C3CN(C(=O)OC(C)(C)C)C3)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CN1CC(C)C1.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CN1CCC(C)CC1.
What is the InChIKey of tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is HUTWITSCHPJYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41ClN4O4.C29H28ClF6N5O2.C29H39ClN6O4.C23H29ClN4O2.C21H25ClN4O2/c1-20-11-13-36(14-12-20)19-26-28(33)25-15-22(9-10-27(25)35-29(26)40-6)32(39,23-8-7-21(2)34-16-23)24-17-37(18-24)30(38)41-31(3,4)5;1-26(29(34,35)36)7-10-41(11-8-26)15-20-24(30)19-12-17(4-5-21(19)39-25(20)43-3)27(42,23-14-37-16-40(23)2)18-6-9-38-22(13-18)28(31,32)33;1-18-9-11-35(12-10-18)17-22-25(30)21-13-19(7-8-23(21)32-26(22)39-6)29(38,24-14-31-33-34(24)5)20-15-36(16-20)27(37)40-28(2,3)4;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;1-12-9-26(10-12)11-16-19(22)15-7-14(5-6-17(15)24-21(16)28-4)20(27)18-8-23-13(2)25(18)3/h7-10,15-16,20,24,39H,11-14,17-19H2,1-6H3;4-6,9,12-14,16,42H,7-8,10-11,15H2,1-3H3;7-8,13-14,18,20,38H,9-12,15-17H2,1-6H3;5-6,11-12,14,22,29H,7-10,13H2,1-4H3;5-8,12,20,27H,9-11H2,1-4H3.
What are the key properties of tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 2610.17 g/mol, XLogP of 24.51, 28 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 158593880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).