Theoretical calculations on aminoquinolines and aminoisoquinolines was written by Dasgupta, Molina;Basu, Sadhan. And the article was included in Journal de Chimie Physique et de Physico-Chimie Biologique in 1961.Reference of 23707-37-1 This article mentions the following:
The Hückel method is used. The exptl. pKs of these compounds are related neither to elec. charge on the ring N nor to localization energy on protonation. The force constant of the exocyclic CN bond can be calculated satisfactorily with the equation of Coulson and Longuet-Higgins (CA 42, 1489i). The length of this bond, calculated with the equation of Badger (CA 28, 29966), is well correlated with its bond order. The charge d. on the ring N atom correlates better with the exptl. N-H force constant than does the charge d. on the amino N atom. In the experiment, the researchers used many compounds, for example, Isoquinolin-7-amine (cas: 23707-37-1Reference of 23707-37-1).
Isoquinolin-7-amine (cas: 23707-37-1) belongs to isoquinoline derivatives. Quinoline and its derivatives are widely used as fungicides, biological agents, antibiotics, alkaloids, dyes, rubber chemicals and flavoring agents. Isoquinoline-type alkaloids show biological activities similar to those of morphinane-, protoberberine-, and benzophenanthridine-type alkaloids.Reference of 23707-37-1
Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem