2-[3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoic Acid Methyl Ester

• CAT Number: R047018
• CAS Number: 149968-11-6
• Molecular Formula: C28H22ClNO3
• Molecular Weight: 455.94
• Purity: ≥95%
• Synonyms: Methyl (E)-2-[3-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate
• Storage: -20°C
• IUPAC Name: methyl 2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-oxopropyl]benzoate
• InChI: InChI=1S/C28H22ClNO3/c1-33-28(32)25-8-3-2-6-20(25)12-16-27(31)22-7-4-5-19(17-22)9-14-24-15-11-21-10-13-23(29)18-26(21)30-24/h2-11,13-15,17-18H,12,16H2,1H3/b14-9+
• InChIKey: INXATVZSQVIIHJ-NTEUORMPSA-N
• SMILES: COC(=O)C1=CC=CC=C1CCC(=O)C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3

2-[3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoic acid methyl ester(CAT: R047018) is a structurally complex compound incorporating a 7-chloroquinoline ring, a (1E)-styryl linker, and a methyl ester of benzoic acid. Its design suggests potential bioactivity, particularly in medicinal chemistry fields targeting antimicrobial, antiparasitic, or anticancer properties. The conjugated aromatic systems and electrophilic ketone enhance its potential interactions with biological targets. The methyl ester improves lipophilicity and may act as a prodrug moiety for hydrolysis to the active acid form. This molecule is primarily utilized in structure–activity relationship (SAR) studies, synthetic methodology development, and pharmaceutical research.