3-amino-7-nitro-4-(pyrrolidine-1-carbonyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
3-amino-7-nitro-4-(pyrrolidine-1-carbonyl)isoquinolin-1(2H)-one
3-amino-7-nitro-4-(pyrrolidine-1-carbonyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | 8019-0678 |
| Compound Name: | 3-amino-7-nitro-4-(pyrrolidine-1-carbonyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 302.29 |
| Molecular Formula: | C14 H14 N4 O4 |
| Smiles: | C1CCN(C1)C(C1=C(N)NC(c2cc(ccc12)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5847 |
| logD: | 0.3687 |
| logSw: | -2.4161 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.565 |
| InChI Key: | HBGPDQUPRJPKSD-UHFFFAOYSA-N |