A study of the synthesis of an indolo [2,3-a]acridinol derivative using the Claisen ester condensation reaction resulted in the discovery of inexpensive and user-friendly solvents. Structures of the newly synthesized compounds were characterized by FT-IR, 1 H NMR, 13 C NMR, and HRMS analyses. Docking studies showed a strong affinity of indolo [2,3a]acridinol towards prostate cancer-related proteins. The binding affinity closer to 10 kcal/mol indicated effective binding. Indolo[2,acridinol showed strong binding affinities towards protein androgen receptors such as 1GS4, 1T7R, 2AX8, and 3B66 indicating its potential role in protein kinase inhibition. The programs, AutoDock 4 and Au-toDock Vina, and Swiss ADME software were applied to dock the target protein with synthesized compounds.

An exclusive approach towards the synthesis of novel 3‐(hydroxymethyl)‐2‐phenyl‐2,3 dihydroquinolin‐4(1H)‐one and it's in‐silico evaluation as inhibitor of COVID‐19 main protease. The one‐pot synthesis of an established procedure Claisen ester condensation reaction was sodium hydride mediated with intramolecular cyclization with solvent free conditions. The structures of the synthesized compound were confirmed by IR, 1H,13C NMR, and EI‐MS spectral studies. Chemo‐informatics study showed that the compound obeyed the Lipinski's rule, PASS, Swiss ADME. Computational docking analysis was performed using PyRx, AutoDock Vina option based on scoring functions. In‐silico molecular docking study results demonstrated Greater binding energy and affinity to the active pocket the N3 binding site of the Coronavirus primary protease.