(3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl)(4-chloro-3-nitrophenyl)methanone
Chemical Structure Depiction of
(3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl)(4-chloro-3-nitrophenyl)methanone
(3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl)(4-chloro-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | C594-0036 |
| Compound Name: | (3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl)(4-chloro-3-nitrophenyl)methanone |
| Molecular Weight: | 397.78 |
| Molecular Formula: | C18 H12 Cl N5 O4 |
| Smiles: | COc1ccc2cc3c(N)nn(C(c4ccc(c(c4)[N+]([O-])=O)[Cl])=O)c3nc2c1 |
| Stereo: | ACHIRAL |
| logP: | 2.8611 |
| logD: | 2.861 |
| logSw: | -3.6145 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.289 |
| InChI Key: | HMVMIYZPGBNYIM-UHFFFAOYSA-N |