Quinazolinone‐1,2,3‐triazole Hybrid Compounds: Design, Synthesis, Molecular Docking, Cytotoxic Evaluation, and Photophysical Insights

A novel series of quinazolinone‐based 1,2,3‐triazole hybrid compounds ( 6a – m ) were designed and synthesized through copper‐catalyzed 1,3‐dipolar cycloaddition reaction, utilizing terminal alkynes attached to quinazolinone and various azide derivatives. The in silico ADMET predictions indicated favorable pharmacokinetic and toxicity profiles, while molecular docking studies revealed binding interactions consistent with the experimental biological outcomes. However cytotoxic effects against MCF7 and MDA‐MB‐231 breast cancer cells showed that compounds 6a , 6e , 6i , and 6j exhibited minimal growth suppression activity and is relatively weaker than the anticancer drug 5‐FU. Additionally, photophysical studies of compound 6b demonstrated blue fluorescence in different solvents, highlighting its potential for further investigation in photochemical applications.