CAS 885460-71-9

1,2,3,4-Tetrahydro-3-(2-methylphenyl)-4-oxo-2-thioxo-7-quinazolinecarboxylic acid

Description:

1,2,3,4-Tetrahydro-3-(2-methylphenyl)-4-oxo-2-thioxo-7-quinazolinecarboxylic acid is a chemical compound characterized by its complex structure, which includes a quinazoline core, a thioxo group, and a carboxylic acid functional group. This compound typically exhibits properties associated with heterocyclic compounds, such as potential biological activity, which may include antimicrobial or anticancer effects, although specific biological data would depend on empirical studies. The presence of the thioxo group suggests potential reactivity in various chemical environments, while the carboxylic acid moiety can participate in hydrogen bonding and influence solubility in polar solvents. The methylphenyl substituent may enhance lipophilicity, affecting the compound's pharmacokinetics. Overall, this compound's unique structural features contribute to its potential utility in medicinal chemistry and drug development, although further research would be necessary to fully elucidate its properties and applications.

Formula: C₁₆H₁₂N₂O₃S

InChI: InChI=1S/C16H12N2O3S/c1-9-4-2-3-5-13(9)18-14(19)11-7-6-10(15(20)21)8-12(11)17-16(18)22/h2-8H,1H3,(H,17,22)(H,20,21)

InChI key: InChIKey=BPQKSBLPMCFWAN-UHFFFAOYSA-N

SMILES: O=C1C=2C(NC(=S)N1C3=C(C)C=CC=C3)=CC(C(O)=O)=CC2

Synonyms:

• 1,2,3,4-Tetrahydro-3-(2-methylphenyl)-4-oxo-2-thioxo-7-quinazolinecarboxylic acid
• 7-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-3-(2-methylphenyl)-4-oxo-2-thioxo-