CAS 801311-41-1

3-[[3-(Aminocarbonyl)-4-[(3-methoxyphenyl)amino]-8-methyl-6-quinolinyl]sulfonyl]benzoic acid

Description:

3-[[3-(Aminocarbonyl)-4-[(3-methoxyphenyl)amino]-8-methyl-6-quinolinyl]sulfonyl]benzoic acid, with CAS number 801311-41-1, is a complex organic compound characterized by its multi-functional structure. It features a quinoline core, which is known for its aromatic properties and biological activity, particularly in medicinal chemistry. The presence of an aminocarbonyl group suggests potential for hydrogen bonding and reactivity, while the sulfonyl group enhances solubility and may contribute to its pharmacological properties. The methoxyphenyl moiety indicates the potential for interactions with biological targets, possibly influencing its efficacy in therapeutic applications. This compound may exhibit properties such as anti-inflammatory or anticancer activity, typical of many quinoline derivatives. Its solubility, stability, and reactivity can be influenced by the functional groups present, making it a candidate for further investigation in drug development. Overall, this compound's unique structure positions it as a potentially valuable entity in pharmaceutical research.

Formula: C₂₅H₂₁N₃O₆S

InChI: InChI=1S/C25H21N3O6S/c1-14-9-19(35(32,33)18-8-3-5-15(10-18)25(30)31)12-20-22(14)27-13-21(24(26)29)23(20)28-16-6-4-7-17(11-16)34-2/h3-13H,1-2H3,(H2,26,29)(H,27,28)(H,30,31)

InChI key: InChIKey=SZZXZRJNNBZBOV-UHFFFAOYSA-N

SMILES: N(C=1C2=C(C(C)=CC(S(=O)(=O)C3=CC(C(O)=O)=CC=C3)=C2)N=CC1C(N)=O)C4=CC(OC)=CC=C4

Synonyms:

• 3-[[3-(Aminocarbonyl)-4-[(3-methoxyphenyl)amino]-8-methyl-6-quinolinyl]sulfonyl]benzoic acid
• Benzoic acid, 3-[[3-(aminocarbonyl)-4-[(3-methoxyphenyl)amino]-8-methyl-6-quinolinyl]sulfonyl]-
• 3-((3-Carbamoyl-4-((3-methoxyphenyl)imino)-8-methyl-1,4-dihydroquinolin-6-yl)sulfonyl)benzoic acid