[1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine

C141H102Cl10N28O5 — CID 157268599

IUPAC[1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine
SMILESCc1nnc2cc(-c3cccc(Cl)c3)c3cc(C(O)(c4ccc(Cl)cc4)c4cncn4C)ccc3n12.Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1n[nH]c(=O)n12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnc(-c3ccccc3)n12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnc(N)n12
InChIInChI=1S/C33H23Cl2N5O.C28H21Cl2N5O.C27H20Cl2N6O.C27H19Cl2N5O2.C26H19Cl2N7/c1-39-20-36-19-30(39)33(41,23-10-13-25(34)14-11-23)24-12-15-29-28(17-24)27(22-8-5-9-26(35)16-22)18-31-37-38-32(40(29)31)21-6-3-2-4-7-21;1-17-32-33-27-14-23(18-4-3-5-22(30)12-18)24-13-20(8-11-25(24)35(17)27)28(36,26-15-31-16-34(26)2)19-6-9-21(29)10-7-19;1-34-15-31-14-24(34)27(36,17-5-8-19(28)9-6-17)18-7-10-23-22(12-18)21(16-3-2-4-20(29)11-16)13-25-32-33-26(30)35(23)25;1-33-15-30-14-24(33)27(36,17-5-8-19(28)9-6-17)18-7-10-23-22(12-18)21(16-3-2-4-20(29)11-16)13-25-31-32-26(35)34(23)25;1-34-15-30-14-24(34)26(29,17-5-8-19(27)9-6-17)18-7-10-23-22(12-18)21(13-25-31-32-33-35(23)25)16-3-2-4-20(28)11-16/h2-20,41H,1H3;3-16,36H,1-2H3;2-15,36H,1H3,(H2,30,33);2-15,36H,1H3,(H,32,35);2-15H,29H2,1H3
InChIKeyAYGVDJUQKSQZSW-UHFFFAOYSA-N
MW2623.09 g/mol
LogP29.58
Rot. Bonds21

About [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine

[1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine (PubChem CID 157268599) has the molecular formula C141H102Cl10N28O5 and a molecular weight of 2623.09 g/mol. Its IUPAC name is [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name[1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine
PubChem CID157268599
Molecular FormulaC141H102Cl10N28O5
Molecular Weight2623.09 g/mol
Exact Mass2616.55
IUPAC Name[1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine
SMILESCc1nnc2cc(-c3cccc(Cl)c3)c3cc(C(O)(c4ccc(Cl)cc4)c4cncn4C)ccc3n12.Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1n[nH]c(=O)n12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnc(-c3ccccc3)n12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnc(N)n12
InChIInChI=1S/C33H23Cl2N5O.C28H21Cl2N5O.C27H20Cl2N6O.C27H19Cl2N5O2.C26H19Cl2N7/c1-39-20-36-19-30(39)33(41,23-10-13-25(34)14-11-23)24-12-15-29-28(17-24)27(22-8-5-9-26(35)16-22)18-31-37-38-32(40(29)31)21-6-3-2-4-7-21;1-17-32-33-27-14-23(18-4-3-5-22(30)12-18)24-13-20(8-11-25(24)35(17)27)28(36,26-15-31-16-34(26)2)19-6-9-21(29)10-7-19;1-34-15-31-14-24(34)27(36,17-5-8-19(28)9-6-17)18-7-10-23-22(12-18)21(16-3-2-4-20(29)11-16)13-25-32-33-26(30)35(23)25;1-33-15-30-14-24(33)27(36,17-5-8-19(28)9-6-17)18-7-10-23-22(12-18)21(16-3-2-4-20(29)11-16)13-25-31-32-26(35)34(23)25;1-34-15-30-14-24(34)26(29,17-5-8-19(27)9-6-17)18-7-10-23-22(12-18)21(13-25-31-32-33-35(23)25)16-3-2-4-20(28)11-16/h2-20,41H,1H3;3-16,36H,1-2H3;2-15,36H,1H3,(H2,30,33);2-15,36H,1H3,(H,32,35);2-15H,29H2,1H3
InChIKeyAYGVDJUQKSQZSW-UHFFFAOYSA-N
XLogP29.58
TPSA405.87 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds21
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002623.09
LogP ≤ 529.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine with MolForge

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Related Compounds

[2-(Azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-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;[4-chloro-2-(3-ethylazetidin-1-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(3-methylazetidin-1-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 157375050
[2-(Azetidin-1-yl)-4-chloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(3-ethylazetidin-1-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(3-methylazetidin-1-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 158702836
[3-Benzyl-4-chloro-2-(1-methylimidazol-2-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrazol-1-ylquinoline-4-carbonitrile
CID 159050338
[2-(Azetidin-1-yl)-4-chloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(dimethylamino)-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(3-ethylazetidin-1-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 159399126
[2-(Azetidin-1-yl)-4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(3-fluoro-3-methylazetidin-1-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 161843569
(3-Tert-butyl-2,4-dichloroquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2-cyclopenta-1,4-dien-1-yl-3-propan-2-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-methyl-2-(1-methylindazol-5-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;[4-chloro-3-methyl-2-(1-methylindol-6-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(3-chlorophenyl)-(2,4-dichloro-3-propan-2-ylquinolin-6-yl)-pyridin-3-ylmethanol
CID 161975168
(4-Chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
CID 9914429
(4-Chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol
CID 23388920
(4-Chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
CID 23388933
(4-Chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
CID 23388936
[1-Amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
CID 23388939
(4-Chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
CID 23388948

Frequently Asked Questions

What is the IUPAC name of [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine?
The IUPAC name of [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine (CID 157268599) is [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine.
What is the SMILES notation for [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine?
The canonical SMILES for [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine is Cc1nnc2cc(-c3cccc(Cl)c3)c3cc(C(O)(c4ccc(Cl)cc4)c4cncn4C)ccc3n12.Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1n[nH]c(=O)n12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnc(-c3ccccc3)n12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnc(N)n12.
What is the InChIKey of [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine?
The InChIKey is AYGVDJUQKSQZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23Cl2N5O.C28H21Cl2N5O.C27H20Cl2N6O.C27H19Cl2N5O2.C26H19Cl2N7/c1-39-20-36-19-30(39)33(41,23-10-13-25(34)14-11-23)24-12-15-29-28(17-24)27(22-8-5-9-26(35)16-22)18-31-37-38-32(40(29)31)21-6-3-2-4-7-21;1-17-32-33-27-14-23(18-4-3-5-22(30)12-18)24-13-20(8-11-25(24)35(17)27)28(36,26-15-31-16-34(26)2)19-6-9-21(29)10-7-19;1-34-15-31-14-24(34)27(36,17-5-8-19(28)9-6-17)18-7-10-23-22(12-18)21(16-3-2-4-20(29)11-16)13-25-32-33-26(30)35(23)25;1-33-15-30-14-24(33)27(36,17-5-8-19(28)9-6-17)18-7-10-23-22(12-18)21(16-3-2-4-20(29)11-16)13-25-31-32-26(35)34(23)25;1-34-15-30-14-24(34)26(29,17-5-8-19(27)9-6-17)18-7-10-23-22(12-18)21(13-25-31-32-33-35(23)25)16-3-2-4-20(28)11-16/h2-20,41H,1H3;3-16,36H,1-2H3;2-15,36H,1H3,(H2,30,33);2-15,36H,1H3,(H,32,35);2-15H,29H2,1H3.
What are the key properties of [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine?
[1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine has a molecular weight of 2623.09 g/mol, XLogP of 29.58, 21 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 157268599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).