3-(3-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)methyl]-6-nitroquinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)methyl]-6-nitroquinazolin-4(3H)-one
3-(3-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)methyl]-6-nitroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | C284-0241 |
| Compound Name: | 3-(3-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)methyl]-6-nitroquinazolin-4(3H)-one |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C21 H23 N5 O4 |
| Smiles: | CN1CCN(CC1)CC1=Nc2ccc(cc2C(N1c1cccc(c1)OC)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4596 |
| logD: | 0.9901 |
| logSw: | -2.3606 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73 |
| InChI Key: | JYLIBJIOVCJEQL-UHFFFAOYSA-N |