2-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}quinolin-4(1H)-one
Chemical Structure Depiction of
2-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}quinolin-4(1H)-one
2-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G753-0004 |
| Compound Name: | 2-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}quinolin-4(1H)-one |
| Molecular Weight: | 381.86 |
| Molecular Formula: | C21 H20 Cl N3 O2 |
| Smiles: | C1CN(CCN1CC1=CC(c2ccccc2N1)=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6825 |
| logD: | 2.6748 |
| logSw: | -3.8991 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.222 |
| InChI Key: | NKODKVZKWULLFN-UHFFFAOYSA-N |