<p>Alzheimer’s disease (AD) is a neurodegenerative brain disorder that mainly affects elderly people generally above the age of 65 years. The disease involves various hypotheses, including the cholinergic hypothesis where the elevated level of AChE causes reduced ACh leads to the progress of AD. AChE inhibitors serve as an excellent strategy to manage the regular levels, this encourages developing and designing of compounds that focus on more than one target can be an efficient candidate for drug development. A series of 15 molecules was prepared and characterized followed by AChE inhibition evaluation, and metal chelation assay for the metal ions involved in AD hypothesis i.e., Cu²⁺, Fe²⁺, and Zn²⁺. Among the series of compounds, 7n has shown IC₅₀ = 6.02 µM for AChE inhibition. The kinetic study of inhibition mechanism suggested 7n as a mixed-type inhibitor. Also, 7n found to chelate the metal ions involved in metal hypothesis i.e., Cu²⁺, Fe²⁺, and Zn²⁺ of the AD, that could serve as high-affinity selective metal chelators aid in mass excretion of the metal from the body. In-silico results are in good alignment with the experimental data. The drug-likeness and toxicity of 7n were found as a moderately tolerable. These results can prove heterocyclic moieties as potential candidates for further modification and exploration for even better biologically active anti AD compounds.</p>