5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol

C140H100Cl8FN29O7 — CID 160866533

IUPAC5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCCc1cccc(-c2cc3nnnn3c3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.Cn1ccnc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nncn12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(-c1ccccc1)c1nnnn12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(C(=O)O)c1nnnn12.Cn1cncc1C(O)(c1ccc(F)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12
InChIInChI=1S/C32H22Cl2N6O.C28H23ClN6O.C27H18Cl2N6O3.C27H19Cl2N5O.C26H18ClFN6O/c1-39-19-35-18-28(39)32(41,22-10-13-24(33)14-11-22)23-12-15-27-26(17-23)29(21-8-5-9-25(34)16-21)30(20-6-3-2-4-7-20)31-36-37-38-40(27)31;1-3-18-5-4-6-19(13-18)23-15-27-31-32-33-35(27)25-12-9-21(14-24(23)25)28(36,26-16-30-17-34(26)2)20-7-10-22(29)11-8-20;1-34-14-30-13-22(34)27(38,16-5-8-18(28)9-6-16)17-7-10-21-20(12-17)23(15-3-2-4-19(29)11-15)24(26(36)37)25-31-32-33-35(21)25;1-33-12-11-30-26(33)27(35,18-5-8-20(28)9-6-18)19-7-10-24-23(14-19)22(15-25-32-31-16-34(24)25)17-3-2-4-21(29)13-17;1-33-15-29-14-24(33)26(35,17-5-8-20(28)9-6-17)18-7-10-23-22(12-18)21(13-25-30-31-32-34(23)25)16-3-2-4-19(27)11-16/h2-19,41H,1H3;4-17,36H,3H2,1-2H3;2-14,38H,1H3,(H,36,37);2-16,35H,1H3;2-15,35H,1H3
InChIKeySLENGYQBJIPETI-UHFFFAOYSA-N
MW2603.16 g/mol
LogP27.71
Rot. Bonds23

About 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol

5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol (PubChem CID 160866533) has the molecular formula C140H100Cl8FN29O7 and a molecular weight of 2603.16 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol
PubChem CID160866533
Molecular FormulaC140H100Cl8FN29O7
Molecular Weight2603.16 g/mol
Exact Mass2597.59
IUPAC Name5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCCc1cccc(-c2cc3nnnn3c3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.Cn1ccnc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nncn12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(-c1ccccc1)c1nnnn12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(C(=O)O)c1nnnn12.Cn1cncc1C(O)(c1ccc(F)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12
InChIInChI=1S/C32H22Cl2N6O.C28H23ClN6O.C27H18Cl2N6O3.C27H19Cl2N5O.C26H18ClFN6O/c1-39-19-35-18-28(39)32(41,22-10-13-24(33)14-11-22)23-12-15-27-26(17-23)29(21-8-5-9-25(34)16-21)30(20-6-3-2-4-7-20)31-36-37-38-40(27)31;1-3-18-5-4-6-19(13-18)23-15-27-31-32-33-35(27)25-12-9-21(14-24(23)25)28(36,26-16-30-17-34(26)2)20-7-10-22(29)11-8-20;1-34-14-30-13-22(34)27(38,16-5-8-18(28)9-6-16)17-7-10-21-20(12-17)23(15-3-2-4-19(29)11-15)24(26(36)37)25-31-32-33-35(21)25;1-33-12-11-30-26(33)27(35,18-5-8-20(28)9-6-18)19-7-10-24-23(14-19)22(15-25-32-31-16-34(24)25)17-3-2-4-21(29)13-17;1-33-15-29-14-24(33)26(35,17-5-8-20(28)9-6-17)18-7-10-23-22(12-18)21(13-25-30-31-32-34(23)25)16-3-2-4-19(27)11-16/h2-19,41H,1H3;4-17,36H,3H2,1-2H3;2-14,38H,1H3,(H,36,37);2-16,35H,1H3;2-15,35H,1H3
InChIKeySLENGYQBJIPETI-UHFFFAOYSA-N
XLogP27.71
TPSA430.06 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds23
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002603.16
LogP ≤ 527.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol with MolForge

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Related Compounds

(Rac)-1-(6-chloro-imidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-yl-ethanol (6-chloro-imidazo[1,2-b]pyridazin-3-yl)-quinolin-6-yl-methanone
CID 131731817
3-[[5-Chloro-1-[4-(dimethylamino)but-2-ynyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(3,3-difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid
CID 159396321
3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;(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-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-quinolin-4-one
CID 160109066
(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(3-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-2-(diethylamino)-3-phenylquinoline-4-carbonitrile;6-[(3-chlorophenyl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-phenylquinoline-2,4-dicarbonitrile;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;2-(dimethylamino)-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenyl-1H-quinolin-4-one
CID 160146393
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-4-carboxylic acid;1-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid;4-(3-methylindol-1-yl)benzoic acid
CID 160599097
Ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate
CID 23388900
5-(3-Chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate
CID 23388971
5-(3-Chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid
CID 23388972
1-[(2,6-Dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 91329280
(Rac)-1-(6-chloro-imidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methyl-1h-indazol-5-yl)-ethanol (6-chloro-imidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methyl-1h-indazol-5-yl)-methanone
CID 131731819
[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
(4-Chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-imidazol-1-ylmethyl]imidazo[1,2-a]quinoline;7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1,5-diphenyl-[1,2,4]triazolo[4,3-a]quinoline;(4-chlorophenyl)-(3-methylimidazol-4-yl)-(5-phenylimidazo[1,2-a]quinolin-7-yl)methanol
CID 157698716

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol (CID 160866533) is 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol is CCc1cccc(-c2cc3nnnn3c3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.Cn1ccnc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nncn12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(-c1ccccc1)c1nnnn12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(C(=O)O)c1nnnn12.Cn1cncc1C(O)(c1ccc(F)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12.
What is the InChIKey of 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is SLENGYQBJIPETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22Cl2N6O.C28H23ClN6O.C27H18Cl2N6O3.C27H19Cl2N5O.C26H18ClFN6O/c1-39-19-35-18-28(39)32(41,22-10-13-24(33)14-11-22)23-12-15-27-26(17-23)29(21-8-5-9-25(34)16-21)30(20-6-3-2-4-7-20)31-36-37-38-40(27)31;1-3-18-5-4-6-19(13-18)23-15-27-31-32-33-35(27)25-12-9-21(14-24(23)25)28(36,26-16-30-17-34(26)2)20-7-10-22(29)11-8-20;1-34-14-30-13-22(34)27(38,16-5-8-18(28)9-6-16)17-7-10-21-20(12-17)23(15-3-2-4-19(29)11-15)24(26(36)37)25-31-32-33-35(21)25;1-33-12-11-30-26(33)27(35,18-5-8-20(28)9-6-18)19-7-10-24-23(14-19)22(15-25-32-31-16-34(24)25)17-3-2-4-21(29)13-17;1-33-15-29-14-24(33)26(35,17-5-8-20(28)9-6-17)18-7-10-23-22(12-18)21(13-25-30-31-32-34(23)25)16-3-2-4-19(27)11-16/h2-19,41H,1H3;4-17,36H,3H2,1-2H3;2-14,38H,1H3,(H,36,37);2-16,35H,1H3;2-15,35H,1H3.
What are the key properties of 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol?
5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 2603.16 g/mol, XLogP of 27.71, 23 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 160866533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).