5-methyl-4-{[(2-methylquinolin-8-yl)amino]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-4-{[(2-methylquinolin-8-yl)amino]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
5-methyl-4-{[(2-methylquinolin-8-yl)amino]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 5588-0095 |
| Compound Name: | 5-methyl-4-{[(2-methylquinolin-8-yl)amino]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 342.4 |
| Molecular Formula: | C21 H18 N4 O |
| Smiles: | CC1/C(=C/Nc2cccc3ccc(C)nc23)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.74 |
| logD: | 3.7388 |
| logSw: | -4.0852 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.397 |
| InChI Key: | LFDITFAPHXHNBV-UHFFFAOYSA-N |