CAS 886500-56-7

2-[(7-Chloro-3-ethyl-3,4-dihydro-4-oxo-2-quinazolinyl)thio]acetic acid

Description:

2-[(7-Chloro-3-ethyl-3,4-dihydro-4-oxo-2-quinazolinyl)thio]acetic acid is a chemical compound characterized by its unique structure, which includes a quinazoline moiety and a thioacetic acid functional group. The presence of a chlorine atom and an ethyl group contributes to its biological activity and potential pharmacological properties. This compound is likely to exhibit moderate solubility in polar solvents due to the presence of the carboxylic acid group, while the quinazoline ring may impart some hydrophobic characteristics. The thioether linkage can enhance its reactivity and interaction with biological targets. Given its structural features, this compound may be of interest in medicinal chemistry, particularly in the development of therapeutic agents. Its specific properties, such as melting point, boiling point, and spectral characteristics, would typically be determined through experimental methods. Additionally, the compound's safety profile and potential applications would require further investigation through toxicological studies and biological assays.

Formula: C₁₂H₁₁ClN₂O₃S

InChI: InChI=1S/C12H11ClN2O3S/c1-2-15-11(18)8-4-3-7(13)5-9(8)14-12(15)19-6-10(16)17/h3-5H,2,6H2,1H3,(H,16,17)

InChI key: InChIKey=YLDAYRFSLOUFDC-UHFFFAOYSA-N

SMILES: O=C1C=2C(N=C(SCC(O)=O)N1CC)=CC(Cl)=CC2

Synonyms:

• Acetic acid, 2-[(7-chloro-3-ethyl-3,4-dihydro-4-oxo-2-quinazolinyl)thio]-
• Acetic acid, [(7-chloro-3-ethyl-3,4-dihydro-4-oxo-2-quinazolinyl)thio]-
• 2-[(7-Chloro-3-ethyl-3,4-dihydro-4-oxo-2-quinazolinyl)thio]acetic acid