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利用量子化学和分子连接性方法研究了氟喹诺酮Ｎ１位的构效关系，令人满意地解释了Ｎ１位特丁基的定量构效关系，本质原因是ＨＯＭＯ起主要作用．利用建立的ＱＳＡＲ方程，预测了Ｒ１取代基为糠基的化合物的活性，与实验结果基本一致．
The structure-activity relationship of fluoroquinolone N1 was studied by means of quantum chemistry and molecular connectivity. The quantitative structure-activity relationship of N1-tert-butyl was satisfactorily explained. The essential reason is that HOMO plays a major role. Using the established QSAR equation, the activity of the compounds with the R1 substituents as furfuryl groups was predicted, which was basically consistent with the experimental results.