A series of new 1-(4-(3,4-dihydroquinolin-2(1H)-one-7-yloxy)butyl)-3-methyl-2,7-diphenyl-1,4-diazepan-5-one analogs of aripiprazole was synthesized by the replacement of 2,3-dichlorophenyl-4-piperazine/diazepane moiety with 3-methyl-2,7-diphenyl-1,4-diazepan-5-one to explore the influence of structural features. All the synthesized compounds are characterized by elemental analysis, Fourier Transform Infrared (FTIR), Proton Nuclear Magnetic Resonance (1H-NMR), Carbon-13 Nuclear Magnetic Resonance (13C-NMR), Heteronuclear Single Quantum Coherence (HSQC) (2D NMR) and mass spectrometry of compound 4a. All the multi target ligands have been docked against, human A2A adenosine receptor and human β2-adrenergic G-protein-coupled Receptors (GPCRs), both receptor and ligand interaction shows an excellent dock score. Absorption Distribution, Metabolism and Excretion (ADME), properties were also evaluated in the desirable range, finally these compounds have orally drug-likeness property. In this event was done to screening the neuroleptic activity of the synthesized compounds with different anti-psychotic animal models.