| Summary: | A novel trimethyltin(IV) complex (<b>Me<sub>3</sub>SnL</b>), derived from 3-(4-methyl-2-oxoquinolin-1(2H)-yl)propanoate ligand, has been synthesized and characterized by elemental microanalysis, UV/Vis spectrophotometry, FT-IR and multinuclear (<sup>1</sup>H, <sup>13</sup>C and <sup>119</sup>Sn) NMR spectroscopies. Furthermore, the structure of the ligand precursor <b>HL</b> was solved using SC-XRD (single-crystal X-ray diffraction). The prediction of UV/Vis and NMR spectra by quantum-chemical methods was performed and compared to experimental findings. The protein binding affinity of <b>Me<sub>3</sub>SnL</b> towards BSA was determined by spectrofluorometric titration and subsequent molecular docking simulations. <b>Me<sub>3</sub>SnL</b> has been evaluated for its in vitro anticancer activity against three human cell lines, MCF-7 (breast adenocarcinoma), A375 (melanoma) and HCT116 (colorectal carcinoma), and three mouse tumor cell lines, 4T1 (breast carcinoma), B16 (melanoma) and CT26 (colon carcinoma), using MTT and CV assays. The strong inhibition of A375 cell proliferation, ROS/RNS upregulation and robust lipid peroxidation lead to autophagic cell death upon treatment with <b>Me<sub>3</sub>SnL</b>.
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