The invention provided an alpha-(8-quinoly) single substituted zinc phthalocyanine and a preparation method thereof, with the molecular formula of C41H21N9OZn; the preparation method is as follows: 8-hydroxyl quinoly and 3- nitrophthalonitrile are adopted as the original substances to synthesize 3-(8- quinoly) phthalonitrile; then 3-(8- quinoly) phthalonitrile, phthalonitrile, and the corresponding zinc salt are adopted as the original substances to synthesize a coordination compound of Phthalocyanine-zinc under the DBU catalysis, and then the coordination compound of Phthalocyanine-zinc is separated to obtain the final product. The coordination compound provided by the invention has a single structure without any isomer, and is characterized in defined structure and easy separation. The coordination compound can be applied in the high-tech fields such as the preparation of novel anti-cancer drugs.