N. Desai, D. B. A. Kumar, P. A. Suchetan
Dec 1, 2019
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Chemical Data Collections
Abstract
Abstract As a continuation of our research work, we have synthesized novel 2-(4-benzoylpiperazin-1-yl)quinoline-3-carbaldehyde. The structural characterization of the synthesized compound was done by spectroscopic techniques such as FT-IR, 1H NMR, 13C NMR & LCMS spectrometry and finally by X-Ray diffraction studies. In the title molecule the dihedral angle between the benzene and the quinoline ring is 64.22(4)o and the aldehyde group is twisted relative to the quinoline group by 24.96(3)o due to the presence of a bulky piperazinyl group in the ortho position. The crystal structure features C H…π interactions forming one dimensional zig-zag chains. The in silico molecular docking studies was carried out in order to know the binding mode of the synthesized compound with Dehydrosqualene synthase, Tubulin and COX-1, COX-2, as target proteins for antibacterial, anthelmintic and anti-inflammatory docking studies respectively.