ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate

C29H22Cl2N6O3 — CID 23388900

IUPACethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(Cl)c2)c2cc(C(O)(c3ccc(Cl)cc3)c3cncn3C)ccc2n2nnnc12
InChIInChI=1S/C29H22Cl2N6O3/c1-3-40-28(38)26-25(17-5-4-6-21(31)13-17)22-14-19(9-12-23(22)37-27(26)33-34-35-37)29(39,24-15-32-16-36(24)2)18-7-10-20(30)11-8-18/h4-16,39H,3H2,1-2H3
InChIKeyRMQBQCAYUPQLMK-UHFFFAOYSA-N
MW573.44 g/mol
LogP5.45
Rot. Bonds6

About ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate

ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate (PubChem CID 23388900) has the molecular formula C29H22Cl2N6O3 and a molecular weight of 573.44 g/mol. Its IUPAC name is ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate
PubChem CID23388900
Molecular FormulaC29H22Cl2N6O3
Molecular Weight573.44 g/mol
Exact Mass572.11
IUPAC Nameethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(Cl)c2)c2cc(C(O)(c3ccc(Cl)cc3)c3cncn3C)ccc2n2nnnc12
InChIInChI=1S/C29H22Cl2N6O3/c1-3-40-28(38)26-25(17-5-4-6-21(31)13-17)22-14-19(9-12-23(22)37-27(26)33-34-35-37)29(39,24-15-32-16-36(24)2)18-7-10-20(30)11-8-18/h4-16,39H,3H2,1-2H3
InChIKeyRMQBQCAYUPQLMK-UHFFFAOYSA-N
XLogP5.45
TPSA107.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.44
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-2-(6-chloro-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-3-carboxylic acid
CID 121596882
[3-[(4-Chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol
CID 16723918
(2-Chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
CID 23388924
[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol
CID 23388926
[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol
CID 23388927
[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2-fluorophenyl)-(3-methylimidazol-4-yl)methanol
CID 23388928
[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol
CID 23388987
[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-fluorophenyl)-(3-methylimidazol-4-yl)methanol
CID 23388988
[5-[2-(3-Chlorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol
CID 58722272
(4-Chlorophenyl)-[5-[2-(3-fluorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
CID 58722276
6-[[1-[2-(4-Chlorophenyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]-ethoxymethyl]pyridine-3-carboxylic acid
CID 91602575
(4-Chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
CID 9913852

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate?
The IUPAC name of ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate (CID 23388900) is ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate.
What is the SMILES notation for ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate?
The canonical SMILES for ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate is CCOC(=O)c1c(-c2cccc(Cl)c2)c2cc(C(O)(c3ccc(Cl)cc3)c3cncn3C)ccc2n2nnnc12.
What is the InChIKey of ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate?
The InChIKey is RMQBQCAYUPQLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22Cl2N6O3/c1-3-40-28(38)26-25(17-5-4-6-21(31)13-17)22-14-19(9-12-23(22)37-27(26)33-34-35-37)29(39,24-15-32-16-36(24)2)18-7-10-20(30)11-8-18/h4-16,39H,3H2,1-2H3.
What are the key properties of ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate?
ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate has a molecular weight of 573.44 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate is sourced from PubChem (CID 23388900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).