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Updated: Jun 20, 2026
11:51
Facile Preparation of 4-Substituted Quinazoline Derivatives
Published on: February 15, 2016
Novel Quinoline-4-ester Derivatives as Antifungal Agent: Synthesis, and In Silico Study
Xu-Xiang Zhang1,2, Zi-Teng Wang1, Wei Yu1
1College of Chemical Engineering, Zhejiang University of Technology, Hangzhou, China.
Chemistry & Biodiversity
|June 18, 2026
Summary
Novel fluorinated quinoline-4-ester derivatives show potent antifungal activity against Magnaporthe oryzae. Structure-activity relationship analysis guides the development of new agricultural fungicides.
Area of Science:
- Medicinal Chemistry
- Organic Synthesis
- Agricultural Science
Background:
- Phytopathogenic fungi cause significant crop losses globally.
- Developing novel fungicides with high efficacy and selectivity is crucial for sustainable agriculture.
Purpose of the Study:
- To design, synthesize, and evaluate a new series of fluorinated quinoline-4-ester derivatives as potential fungicides.
- To investigate the structure-activity relationships (SAR) of these compounds against key phytopathogenic fungi.
Main Methods:
- Synthesis of 2,3-dimethyl-8-fluoro-6-tert-butylquinoline-4-ester derivatives (5a-5p).
- Structural characterization using NMR, IR, and HRMS; single-crystal X-ray diffraction for compound 5g.
- In vitro antifungal activity screening against ten phytopathogenic fungi.
- Computational studies including DFT, ADMET prediction, and molecular docking.
Main Results:
- Several synthesized derivatives demonstrated selective antifungal activity.
- Compounds 5j, 5l, and 5o showed significant inhibition (88.9%) against Magnaporthe oryzae at 50 ppm.
- Electron-withdrawing substituents on the benzoyl moiety positively correlated with antifungal activity.
Conclusions:
- The study identified potent fluorinated quinoline-4-ester derivatives as promising candidates for agricultural fungicides.
- SAR analysis and computational studies provide a foundation for optimizing these compounds for enhanced efficacy and safety.
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