Schiff Base Compound of (E)‐1‐(((4‐chloro‐2‐hydroxyphenyl)imino)methyl)naphthalen‐2‐ol as CDK2 Inhibitory Agent: Structural Characterization, Density Functional Theory Computational, and In Silico studies

Abstract Compound (E)‐1‐(((4‐chloro‐2‐hydroxyphenyl)imino)methyl)naphthalen‐2‐ol (HNC) was prepared by the reaction between 2‐hydroxynaphthyl‐1‐carboxaldehyde and 2‐amino‐5‐chlorophenol in an equimolar ratio and obtained in moderate yield. HNC was characterized using physicochemical and various spectroscopic techniques. The slow evaporation of a hot methanolic solution of HNC resulted in the formation of the zwitterionic ketoenamine form of HNC, and denoted as HNC′. Structurally, HNC′ comprises one naphthoxide ring bridged with one chlorophenol ring by the azomethine group, and the torsion angle between the naphthoxide and the