50593-19-6

Usage

InChI:InChI=1/C13H12ClNO2/c1-3-17-13(16)10-7-15-11-6-8(2)4-5-9(11)12(10)14/h4-7H,3H2,1-2H3

Upstream product

• 41460-18-8 ethyl 4-hydroxy-7-methylquinoline-3-carboxylate 
• 87-13-8 diethyl 2-ethoxymethylenemalonate 
• 108-44-1 1-amino-3-methylbenzene 
• 19056-83-8 diethyl 2-{[(3-methylphenyl)amino]methylene}propane-1,3-dioate 

Relevant academic research and scientific papers

Structure-activity relationship investigations of the modulating effect of core substituents on the affinity of pyrazoloquinolinone congeners for the benzodiazepine receptor

A series of 6- and 7-substituted-2-arylpyrazolo [4,3-c] quinolin-3-ones was synthesized and tested in vitro for binding with the benzodiazepine receptor in competition with [3H]flunitrazepam. Electronic parameters (molecular electrostatic potential (MEP), charge distribution on the nitrogen atoms, dipole moment μ, and ionization potential (IP) were calculated for the compounds by semi-empirical quantum chemistry methods. Lipophilicity of the compounds, expressed as logarithm of the octanol-water partition coefficient (log P), was calculated by the program Pallas. A quantitative correlation of the biological data with molecular parameters revealed a significant dependence (r = 0.95) of the activity on hydrophobic constants of the substituents, log P, and magnitude of the MEP minimum associated with the carbonyl oxygen atom.