(3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

C108H76Cl9F3N18O5S3 — CID 159380553

IUPAC(3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCOc1ccc(C(O)(c2ccc3nc(Cl)c(Cc4ccccc4)c(Cl)c3c2)c2cncs2)cn1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1)c1cncs1.OC(c1cccnc1)(c1ccc2nc(Cl)c(Cc3ccc(Cl)cc3)c(Cl)c2c1)c1cncs1
InChIInChI=1S/C30H21Cl2F3N6O.C27H20Cl2N6OS.C26H19Cl2N3O2S.C25H16Cl3N3OS/c1-40-17-36-16-26(40)29(42,20-6-10-25(37-15-20)30(33,34)35)19-5-9-24-22(14-19)27(31)23(28(32)39-24)13-18-3-7-21(8-4-18)41-12-2-11-38-41;1-34-15-30-13-23(34)27(36,24-14-31-16-37-24)18-5-8-22-20(12-18)25(28)21(26(29)33-22)11-17-3-6-19(7-4-17)35-10-2-9-32-35;1-33-23-10-8-18(13-30-23)26(32,22-14-29-15-34-22)17-7-9-21-19(12-17)24(27)20(25(28)31-21)11-16-5-3-2-4-6-16;26-18-6-3-15(4-7-18)10-20-23(27)19-11-16(5-8-21(19)31-24(20)28)25(32,22-13-30-14-33-22)17-2-1-9-29-12-17/h2-12,14-17,42H,13H2,1H3;2-10,12-16,36H,11H2,1H3;2-10,12-15,32H,11H2,1H3;1-9,11-14,32H,10H2
InChIKeyLKVSRXJJFLIPCV-UHFFFAOYSA-N
MW2178.19 g/mol
LogP25.74
Rot. Bonds23

About (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

(3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 159380553) has the molecular formula C108H76Cl9F3N18O5S3 and a molecular weight of 2178.19 g/mol. Its IUPAC name is (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID159380553
Molecular FormulaC108H76Cl9F3N18O5S3
Molecular Weight2178.19 g/mol
Exact Mass2172.26
IUPAC Name(3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCOc1ccc(C(O)(c2ccc3nc(Cl)c(Cc4ccccc4)c(Cl)c3c2)c2cncs2)cn1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1)c1cncs1.OC(c1cccnc1)(c1ccc2nc(Cl)c(Cc3ccc(Cl)cc3)c(Cl)c2c1)c1cncs1
InChIInChI=1S/C30H21Cl2F3N6O.C27H20Cl2N6OS.C26H19Cl2N3O2S.C25H16Cl3N3OS/c1-40-17-36-16-26(40)29(42,20-6-10-25(37-15-20)30(33,34)35)19-5-9-24-22(14-19)27(31)23(28(32)39-24)13-18-3-7-21(8-4-18)41-12-2-11-38-41;1-34-15-30-13-23(34)27(36,24-14-31-16-37-24)18-5-8-22-20(12-18)25(28)21(26(29)33-22)11-17-3-6-19(7-4-17)35-10-2-9-32-35;1-33-23-10-8-18(13-30-23)26(32,22-14-29-15-34-22)17-7-9-21-19(12-17)24(27)20(25(28)31-21)11-16-5-3-2-4-6-16;26-18-6-3-15(4-7-18)10-20-23(27)19-11-16(5-8-21(19)31-24(20)28)25(32,22-13-30-14-33-22)17-2-1-9-29-12-17/h2-12,14-17,42H,13H2,1H3;2-10,12-16,36H,11H2,1H3;2-10,12-15,32H,11H2,1H3;1-9,11-14,32H,10H2
InChIKeyLKVSRXJJFLIPCV-UHFFFAOYSA-N
XLogP25.74
TPSA290.33 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002178.19
LogP ≤ 525.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol with MolForge

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Related Compounds

[2-(Azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile
CID 157111385
[2-(Azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2-chloro-3-ethyl-4-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol
CID 157125909
(4-chlorophenyl)-(2,4-dichloro-5-fluoro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-8-fluoro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-3-ylmethanol;(2,4-dichloro-8-fluoro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(6-methyl-3-pyridinyl)-(1H-pyrrol-3-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-4-ylmethanol
CID 157187313
[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-propan-2-yloxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol
CID 157206955
[2,4-Bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
CID 157210714
1-[4-[[4-Chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone
CID 157413499
[2-(Azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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)-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol
CID 157568921
[4-Chloro-3-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[5-(1,1-difluoroethyl)thiophen-2-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(oxan-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(oxan-4-yl)methyl]-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carbonitrile
CID 157612456
[4-Chloro-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;3-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile
CID 157734003
[4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 157785261
[3-(1-Benzothiophen-2-ylmethyl)-4-chloro-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(1-methylpyrrol-2-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(1-methylpyrrol-2-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-chlorophenyl)-[2,4-dichloro-3-(thiophen-2-ylmethyl)quinolin-6-yl]-pyridin-3-ylmethanol
CID 157936810
[4-Chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile
CID 157975637

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (CID 159380553) is (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is COc1ccc(C(O)(c2ccc3nc(Cl)c(Cc4ccccc4)c(Cl)c3c2)c2cncs2)cn1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1)c1cncs1.OC(c1cccnc1)(c1ccc2nc(Cl)c(Cc3ccc(Cl)cc3)c(Cl)c2c1)c1cncs1.
What is the InChIKey of (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is LKVSRXJJFLIPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21Cl2F3N6O.C27H20Cl2N6OS.C26H19Cl2N3O2S.C25H16Cl3N3OS/c1-40-17-36-16-26(40)29(42,20-6-10-25(37-15-20)30(33,34)35)19-5-9-24-22(14-19)27(31)23(28(32)39-24)13-18-3-7-21(8-4-18)41-12-2-11-38-41;1-34-15-30-13-23(34)27(36,24-14-31-16-37-24)18-5-8-22-20(12-18)25(28)21(26(29)33-22)11-17-3-6-19(7-4-17)35-10-2-9-32-35;1-33-23-10-8-18(13-30-23)26(32,22-14-29-15-34-22)17-7-9-21-19(12-17)24(27)20(25(28)31-21)11-16-5-3-2-4-6-16;26-18-6-3-15(4-7-18)10-20-23(27)19-11-16(5-8-21(19)31-24(20)28)25(32,22-13-30-14-33-22)17-2-1-9-29-12-17/h2-12,14-17,42H,13H2,1H3;2-10,12-16,36H,11H2,1H3;2-10,12-15,32H,11H2,1H3;1-9,11-14,32H,10H2.
What are the key properties of (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
(3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 2178.19 g/mol, XLogP of 25.74, 23 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 159380553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).