CAS 1325306-03-3

4-[[2-(Methylthio)-4-oxo-3(4H)-quinazolinyl]methyl]benzoic acid

Description:

4-[[2-(Methylthio)-4-oxo-3(4H)-quinazolinyl]methyl]benzoic acid, identified by its CAS number 1325306-03-3, is a chemical compound that features a quinazoline core, which is a bicyclic structure known for its diverse biological activities. This compound contains a methylthio group, which can enhance its lipophilicity and potentially influence its pharmacological properties. The presence of a benzoic acid moiety suggests that it may exhibit acidic characteristics, allowing it to participate in various chemical reactions, including esterification and salt formation. The compound's structure indicates potential interactions with biological targets, making it of interest in medicinal chemistry. Its unique combination of functional groups may contribute to its solubility and reactivity, which are critical factors in drug design and development. Overall, this compound's characteristics suggest it may have applications in pharmaceuticals, particularly in the development of therapeutic agents targeting specific diseases. Further studies would be necessary to fully elucidate its properties and potential uses.

Formula: C₁₇H₁₄N₂O₃S

InChI: InChI=1S/C17H14N2O3S/c1-23-17-18-14-5-3-2-4-13(14)15(20)19(17)10-11-6-8-12(9-7-11)16(21)22/h2-9H,10H2,1H3,(H,21,22)

InChI key: InChIKey=PPNCENBJAPFDJD-UHFFFAOYSA-N

SMILES: C(N1C(SC)=NC=2C(C1=O)=CC=CC2)C3=CC=C(C(O)=O)C=C3

Synonyms:

• 4-[[2-(Methylthio)-4-oxo-3(4H)-quinazolinyl]methyl]benzoic acid
• Benzoic acid, 4-[[2-(methylthio)-4-oxo-3(4H)-quinazolinyl]methyl]-