(3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl)(2-chloro-4-nitrophenyl)methanone
Chemical Structure Depiction of
(3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl)(2-chloro-4-nitrophenyl)methanone
(3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl)(2-chloro-4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | C594-0038 |
| Compound Name: | (3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl)(2-chloro-4-nitrophenyl)methanone |
| Molecular Weight: | 397.78 |
| Molecular Formula: | C18 H12 Cl N5 O4 |
| Smiles: | COc1ccc2cc3c(N)nn(C(c4ccc(cc4[Cl])[N+]([O-])=O)=O)c3nc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0242 |
| logD: | 3.0241 |
| logSw: | -3.7192 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.59 |
| InChI Key: | UXGVEJPIJXPIBX-UHFFFAOYSA-N |