CAS 1049872-98-1

1,2,3,3a-Tetrahydro-3a-methyl-1,5-dioxopyrrolo[1,2-a]quinazoline-4(5H)-butanoic acid

Description:

1,2,3,3a-Tetrahydro-3a-methyl-1,5-dioxopyrrolo[1,2-a]quinazoline-4(5H)-butanoic acid, with CAS number 1049872-98-1, is a complex organic compound characterized by its unique bicyclic structure that incorporates both pyrrole and quinazoline moieties. This compound features a dioxo functional group, contributing to its potential reactivity and biological activity. The presence of a butanoic acid side chain suggests that it may exhibit acidic properties, which could influence its solubility and interaction with biological systems. The tetrahydro configuration indicates that the compound is saturated in certain regions, which may affect its conformational flexibility and stability. Such compounds are often of interest in medicinal chemistry due to their potential pharmacological properties, including anti-inflammatory or anticancer activities. However, specific data regarding its physical properties, such as melting point, boiling point, and solubility, would require empirical investigation or literature references for precise characterization. Overall, this compound represents a fascinating area of study within the field of organic and medicinal chemistry.

Formula: C₁₆H₁₈N₂O₄

InChI: InChI=1S/C16H18N2O4/c1-16-9-8-13(19)18(16)12-6-3-2-5-11(12)15(22)17(16)10-4-7-14(20)21/h2-3,5-6H,4,7-10H2,1H3,(H,20,21)

InChI key: InChIKey=CDGSPWQKWAKHGJ-UHFFFAOYSA-N

SMILES: CC12N(C=3C(C(=O)N1CCCC(O)=O)=CC=CC3)C(=O)CC2

Synonyms:

• 1,2,3,3a-Tetrahydro-3a-methyl-1,5-dioxopyrrolo[1,2-a]quinazoline-4(5H)-butanoic acid
• Pyrrolo[1,2-a]quinazoline-4(5H)-butanoic acid, 1,2,3,3a-tetrahydro-3a-methyl-1,5-dioxo-