CAS 99661-28-6

6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-[3-[4-(2-phenylethyl)-1-piperazinyl]propyl]-3-[2-(trifluoromethyl)phenyl]-, ethyl ester, hydrochloride (1:2)

Description:

6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-[3-[4-(2-phenylethyl)-1-piperazinyl]propyl]-3-[2-(trifluoromethyl)phenyl]-, ethyl ester, hydrochloride (1:2) is a complex organic compound characterized by its quinazoline core structure, which is known for its diverse biological activities. This compound features multiple functional groups, including a carboxylic acid, ester, and piperazine moiety, contributing to its potential pharmacological properties. The presence of trifluoromethyl and phenyl groups enhances its lipophilicity and may influence its interaction with biological targets. As a hydrochloride salt, it is likely to exhibit improved solubility in aqueous environments, which is advantageous for drug formulation. The compound's intricate structure suggests potential applications in medicinal chemistry, particularly in the development of therapeutic agents targeting various diseases. However, specific biological activity, toxicity, and pharmacokinetic properties would require further investigation through experimental studies.

Formula: C₃₅H₃₉F₃N₄O₄·2ClH

InChI: InChI=1S/C35H39F3N4O4.2ClH/c1-4-46-33(44)30-24(2)23-29-31(25(30)3)32(43)42(28-14-9-8-13-27(28)35(36,37)38)34(45)41(29)17-10-16-39-19-21-40(22-20-39)18-15-26-11-6-5-7-12-26;;/h5-9,11-14,23H,4,10,15-22H2,1-3H3;2*1H

InChI key: InChIKey=CPUQPTMXKBMGSW-UHFFFAOYSA-N

SMILES: C(CCN1CCN(CCC2=CC=CC=C2)CC1)N3C=4C(C(=O)N(C3=O)C5=C(C(F)(F)F)C=CC=C5)=C(C)C(C(OCC)=O)=C(C)C4.Cl

Synonyms:

• 6-Ethoxycarbonyl-5,7-dimethyl-1-(3-(4-phenethyl-1-piperazinyl)propyl)-3-(alpha,alpha,alpha-trifluoro-2-tolyl)-2,4(1H,3H)-quinazolinedione dihydrochloride
• 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(3-(4-(2-phenylethyl)-1-piperazinyl)propyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester, dihydrochloride
• 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-[3-[4-(2-phenylethyl)-1-piperazinyl]propyl]-3-[2-(trifluoromethyl)phenyl]-, ethyl ester, hydrochloride (1:2)
• Sp 294