Palladium-Mediated Synthesis of 2‑([Biphenyl]-4-yloxy)quinolin-3-carbaldehydes through Suzuki–Miyaura Cross-Coupling and Their in Silico Breast Cancer Studies on the 3ERT Protein

A series of novel quinoline appended biaryls have been synthesized (5a–5o) by reacting various substituted boronic acids (4e–4h) with various substituted 2-(4-bromophenoxy)­quinolin-3-carbaldehydes (3a–3d) through carbon–carbon bond formation. Effects of various quinoline appended biaryls (5a–5o) on the breast cancer protein 3ERT are moderate to high, as found by in silico molecular docking studies. Comparatively, all quinoline appended biaryls (5a–5o) 5h show better efficacy with a binding energy of −9.39 kcal/mol, and hydrogen bonds are Thr347, Glu353, and Arg394 in the binding pocket. Conclusively, the final novel quinoline appended biaryls (5a–5o) have been confirmed with all the spectral studies, and their efficacy has been validated with in silico studies.