Predicting and allocating water resources have become important tasks in water resource management. System dynamics and optimal planning models are widely applied to solve individual problems, but are seldom combined in studies. In this work, we developed a framework involving a system dynamics-multiple objective optimization (SD-MOO) model, which integrated the functions of simulation, policy control, and water allocation, and applied it to a case study of water management in Jiaxing, China to demonstrate the modeling. The predicted results of the case study showed that water shortage would not occur at a high-inflow level during 2018–2035 but would appear at mid- and low-inflow levels in 2025 and 2022, respectively. After we made dynamic adjustments to water use efficiency, economic growth, population growth, and water resource utilization, the predicted water shortage rates decreased by approximately 69–70% at the mid- and low-inflow levels in 2025 and 2035 compared to the scenarios without any adjustment strategies. Water allocation schemes obtained from the "prediction + dynamic regulation + optimization" framework were competitive in terms of social, economic and environmental benefits and flexibly satisfied the water demands. The case study demonstrated that the SD-MOO model framework could be an effective tool in achieving sustainable water resource management.