The chemical functionalization of carboxylated multi-walled carbon nanotubes (MWCNT-COOH) by creatinine (MWCNT-Amide) and latter modification with 2-aminobenzophenone for producing 1-methyl-9-phenyl-1H-imidazo[4,5-b]quinolin-2-amine (MWCNT-quino) have been investigated. All products were characterized by Fourier transform infrared spectroscopy, Raman spectroscopy, scanning electron microscope, elemental analysis, thermogravimetric analysis, derivative thermogravimetric and cellular investigations. The interesting point is that MWCNT-quino can be homogeneously dispersed in dimethylformamide and to some extent in ethyl alcohol without sonication. Also, MTT assay was used to examine the behavior of cell proliferation after 48 h of cell culture experiments. Cellular results showed high toxicity of MWCNT-quino on the cancer cells. These functionalizations have been chosen due to active sites of carbonyl and methylene groups in MWCNT-Amide and the creating quinoline derivative on the MWCNTs for future application.