2-(1-oxoisoquinolin-2(1H)-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide
Chemical Structure Depiction of
2-(1-oxoisoquinolin-2(1H)-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide
2-(1-oxoisoquinolin-2(1H)-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | C066-1051 |
| Compound Name: | 2-(1-oxoisoquinolin-2(1H)-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide |
| Molecular Weight: | 313.4 |
| Molecular Formula: | C18 H23 N3 O2 |
| Smiles: | C1CCN(C1)CCCNC(CN1C=Cc2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8168 |
| logD: | -2.2737 |
| logSw: | -2.1911 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.343 |
| InChI Key: | KBBUABHAMKCXAD-UHFFFAOYSA-N |