الفهرس 
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Abstract
The present work deals with the design and the synthesis of some α-aminophosphonates using quinazoline ring system such as, diphenyl [(aryl) (2-(4-oxo-2-phenyl-quinazolin-3(4H)-yl)-acetyl hydrazinyl) methyl] phosphonates, VIa-k, diphenyl [(aryl) ((2-oxo- 2-(4-oxo-quinazolin-3(4H)-yl) ethyl)amino) methyl] phosphonate, Xa-f, and diphenyl [(aryl) ((2-oxo-2-(4-oxo-2-phenylquinazolin- 3(4H)-yl) ethyl)amino) methyl] phosphonate, XIIa-f. The structure of these new compounds were elucidated using different spectroscopic measurements such as elemental analysis, FT-IR, 1HNMR, 13C-NMR, 31P-NMR and mass spectroscopy. The anticancer activities of the synthesized α- aminophosphonates were evaluated in vitro via the standard MTT method against different representative cell lines of HePG-2 (liver cancer), MCF-7 (breast cancer), HCT-116 (Colon cancer), PC-3(Prostate cancer), Hela (Epitheliod Carcinoma) and Human lung fibroblast cell line (WI-38) which show a strong to moderate activity. Furthermore, the antioxidant activities of the synthesized α-aminophosphonates and the antihemolytic assay were evaluated. The quantum chemical calculations were performed using density functional theory (DFT) to study the effect of the molecular and electronic structure changes on the biological activity of the investigated compounds. The principal quantum chemical descriptors showed a good correlation with the anticancer activity. The NBO analysis was performed on the most active compound, VIk, at which, the movement of π-electron cloud from the donor to the acceptor, i.e., intramolecular charge transfer can make the molecule more polarized and caused the stabilization of the system. Also, the intra-molecular hyper conjugative interactions were formed by the orbital overlap between n (O) and σ* (C–C) bond orbital, which resulted in the intra-molecular charge transfer ICT, causing the stabilization of the system. The vibrational studies were calculated using B3LYP/6-31+G(d) basis set for calculating the theoretical vibrational frequencies of the investigated compounds. A good correlation between the theoretical wave numbers and the experimental ones was observed. A novel α-aminophosphonates azo-dye, XVa-h, was synthesized and the structures were elucidated using the different spectroscopic measurements. The synthesized azo-dye compounds showed good fastness properties on polyester fabrics.