8-fluoro-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-5-[(3-methylphenyl)methyl]-2,5-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one
Chemical Structure Depiction of
8-fluoro-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-5-[(3-methylphenyl)methyl]-2,5-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one
8-fluoro-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-5-[(3-methylphenyl)methyl]-2,5-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one
Compound characteristics
| Compound ID: | E844-1771 |
| Compound Name: | 8-fluoro-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-5-[(3-methylphenyl)methyl]-2,5-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C29 H25 F N4 O3 |
| Smiles: | Cc1cccc(CN2C=C3C(c4cc(ccc24)F)=NN(CC(N2CCOc4ccc(C)cc24)=O)C3=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.0845 |
| logD: | 4.0845 |
| logSw: | -4.2851 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.512 |
| InChI Key: | VCQKBNCCEANXRK-UHFFFAOYSA-N |