CAS 1013792-05-6

(3aR,9bS)-4-(4-Carboxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid

Description:

The chemical substance known as (3aR,9bS)-4-(4-Carboxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid is a complex organic compound characterized by its bicyclic structure, which includes a cyclopentaquinoline framework. This compound features multiple functional groups, notably carboxylic acid groups, which contribute to its acidic properties and potential for forming hydrogen bonds. The stereochemistry indicated by the (3aR,9bS) configuration suggests specific spatial arrangements of atoms, which can influence the compound's reactivity and interactions with biological targets. Its aromatic component, the 4-carboxyphenyl group, enhances its potential for π-π stacking interactions, making it of interest in medicinal chemistry and drug design. The presence of multiple carboxylic acid groups may also enhance solubility in polar solvents and facilitate interactions with biomolecules. Overall, this compound's unique structural features and functional groups suggest potential applications in pharmaceuticals, particularly in the development of therapeutic agents.

Formula: C₂₀H₁₇NO₄

InChI: InChI=1S/C20H17NO4/c22-19(23)12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20(24)25)8-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H,22,23)(H,24,25)/t14-,15+,18?/m0/s1

InChI key: InChIKey=NOOGFRZLFMBLBG-DYNVDGSKSA-N

SMILES: C(O)(=O)C=1C=C2[C@@]3([C@](C(NC2=CC1)C4=CC=C(C(O)=O)C=C4)(CC=C3)[H])[H]

Synonyms:

• 3H-Cyclopenta[c]quinoline-8-carboxylic acid, 4-(4-carboxyphenyl)-3a,4,5,9b-tetrahydro-, (3aR,9bS)-
• (3aR,9bS)-4-(4-Carboxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid