CAS 886500-90-9

2-[(3,4-Dihydro-6,7-dimethoxy-4-oxo-2-quinazolinyl)thio]acetic acid

Description:

2-[(3,4-Dihydro-6,7-dimethoxy-4-oxo-2-quinazolinyl)thio]acetic acid, with the CAS number 886500-90-9, is a chemical compound characterized by its unique structure that includes a quinazoline moiety and a thioacetic acid functional group. This compound typically exhibits properties associated with both the quinazoline and thioester classes, which may include biological activity such as antimicrobial or anticancer effects, although specific biological data would depend on empirical studies. The presence of methoxy groups suggests potential for increased lipophilicity, which can influence its solubility and permeability in biological systems. Additionally, the thioacetic acid component may impart reactivity that could be exploited in synthetic applications or drug development. Overall, this compound's characteristics make it of interest in medicinal chemistry and pharmacology, although further research would be necessary to fully elucidate its properties and potential applications.

Formula: C₁₂H₁₂N₂O₅S

InChI: InChI=1S/C12H12N2O5S/c1-18-8-3-6-7(4-9(8)19-2)13-12(14-11(6)17)20-5-10(15)16/h3-4H,5H2,1-2H3,(H,15,16)(H,13,14,17)

InChI key: InChIKey=GYZADVNFSVNZTB-UHFFFAOYSA-N

SMILES: O=C1C=2C(=CC(OC)=C(OC)C2)NC(SCC(O)=O)=N1

Synonyms:

• Acetic acid, [(1,4-dihydro-6,7-dimethoxy-4-oxo-2-quinazolinyl)thio]-
• 2-[(3,4-Dihydro-6,7-dimethoxy-4-oxo-2-quinazolinyl)thio]acetic acid
• Acetic acid, 2-[(3,4-dihydro-6,7-dimethoxy-4-oxo-2-quinazolinyl)thio]-