No abstract

5‐ and 8‐Nitroisoquinoline and some of their derivatives are aminated in a liquid ammonia solution of potassium permanganate to yield the corresponding 6‐ and 7‐amino compounds. From 5,7‐dinitroisoquinoline the 6,8‐diamino derivative is obtained; 1‐nitroisoquinoline has been found to be unreactive. FMO calculations made for a few nitroisoquinolines confirm the experimentally observed regioselectivity of the amination.

Syntheses of 1-propyl derivatives of 2-methyl-5-nitroimidazole (11-17), containing various azanaphthalene systems attached at 3-position of the propyl group have been described. Due to structural similarity of the derivatives 11-17 with metronidazole, an antibacterial and antiprotozoal drug, pharmacological properties of the target compounds were predicted using the PASS program. Polar surface area (PSA) parameter was also applied for estimation of the physical properties of 11-17 as drug-like candidates.

The derivatives of 1-propyl-and 1-butyl-of 2-methyl-5-nitroimidazole containing phenylpiperazine, m-chloro-and o-methoxyphenylpiperazine attached at the end of alkyl chain were synthesed. For the obtained new compounds, the biological activity was predicted using the computer program PASS.