Theoretical Study of New Pyranoquinoxaline, Pyrimido (Pyrido) Pyranoquinoxaline and Quinoxalinone Derivatives

Abstract

We present the results of structural theoretical calculations made with the Molecular Mechanics method for a series of new pyranoquinoxaline, pyrimido (pyrido) pyranoquinoxaline and quinoxalinone derivatives which have been recently synthetized. The different contributions to the steric energy is analysed for the new 19 molecules. Some particular structural features are discussed and some possible extensions are pointed out.

Keywords: Pyranoquinoxaline, Pyrimido (pyrido) pyranoquinoxaline, Quinoxalinone, Molecular Mechanics, MM Force field