Characterization, biological evaluation and molecular docking of a synthesised quinazolinone-based derivative

Herein, an efficient two-step process to synthesise a quinazoline derivative is described. First, an intermediate (3) was prepared from 5-methylanthranilic acid (1) and 4-fluorophenylisothiocyanate (2). Next, intermediate (3) reacted with sulfur alkylation using isopropyl bromide (4). The obtained compound, 3-(4-Fluoro-phenyl)-2-isopropylsulfanyl-6-methyl-3H-quinazolin-4-one (QD 5), was characterized using several spectral analytical methods, such as Raman, NMR and FTIR, and DFT calculations were performed. QD 5’s antibacterial performance was evaluated; it demonstrated interesting activity against several bacterial strains. Docking studies indicated that there was conventional intermolecular hydrogen bonding between the active sites of the target enzymes and the docked molecules.