The benzodiazines (phthalazine, quinazoline, quinoxaline, and cinnoline) have emerged as attractive scaffolds for creating novel anticancer drugs. These nitrogen-containing heterocycles are intriguing because they have a variety of configurations and can change chemically, allowing us to tailor their pharmacokinetic and pharmacodynamic features. Numerous studies have found that derivatives of these compounds have potent anticancer properties inhibiting topoisomerases, protein kinases, and receptor tyrosine kinases. These compounds impair critical processes that control cancer proliferation and survival. Most benzodiazine derivatives have achieved clinical success, demonstrating the heterocycles' therapeutic potential. The use of phthalazine, cinnoline, and quinazoline derivatives should open new avenues in developing better and more targeted cancer treatments. In this overview, we summarize recent advances in synthesizing these compounds and illustrate how they serve as promising chemotherapeutic agents. Therefore, current research organizes the latest information to provide a clearer picture of design strategies that boost efficacy and selectivity, allowing the identification of potential anticancer drug candidates down the line. This research study also highlights the need to establish heterocyclic derivatives as a promising source of new molecules for cancer treatment with improved efficacy and decreased effects.