CAS 1133-78-4

2,3,5,6,7,8-Hexahydro-2-oxo-4-quinazolinecarboxylic acid

Description:

2,3,5,6,7,8-Hexahydro-2-oxo-4-quinazolinecarboxylic acid, with the CAS number 1133-78-4, is a bicyclic compound characterized by its quinazoline structure, which features a fused ring system. This compound is typically a white to off-white crystalline solid and is soluble in polar solvents, such as water and alcohols, due to the presence of carboxylic acid functional groups. Its molecular structure includes multiple chiral centers, contributing to its potential stereoisomerism. The compound exhibits biological activity, making it of interest in medicinal chemistry, particularly for its potential applications in pharmaceuticals. Its oxo and carboxylic acid functionalities may participate in various chemical reactions, including esterification and amidation. Additionally, the presence of the quinazoline moiety suggests potential interactions with biological targets, which could be explored for therapeutic purposes. Overall, 2,3,5,6,7,8-Hexahydro-2-oxo-4-quinazolinecarboxylic acid is a compound of significant interest in both synthetic and medicinal chemistry.

Formula: C₉H₁₀N₂O₃

InChI: InChI=1S/C9H10N2O3/c12-8(13)7-5-3-1-2-4-6(5)10-9(14)11-7/h1-4H2,(H,12,13)(H,10,11,14)

InChI key: InChIKey=STARWXDKVTUOKH-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C2=C(NC(=O)N1)CCCC2

Synonyms:

• 4-Quinazolinecarboxylic acid, 2,3,5,6,7,8-hexahydro-2-oxo-
• 2,3,5,6,7,8-Hexahydro-2-oxo-4-quinazolinecarboxylic acid
• 4-Quinazolinecarboxylic acid, 1,2,5,6,7,8-hexahydro-2-oxo-
• 4-Quinazolinecarboxylic acid, 5,6,7,8-tetrahydro-2-hydroxy-
• 2-Oxo-5,6,7,8-tetrahydro-1H-quinazoline-4-carboxylic acid