N-(2-methoxy-5-nitrophenyl)-11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazoline-3-carboxamide
N-(2-methoxy-5-nitrophenyl)-11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | E475-0072 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 394.39 |
| Molecular Formula: | C20 H18 N4 O5 |
| Smiles: | COc1ccc(cc1NC(c1ccc2C(N3CCCCC3=Nc2c1)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0757 |
| logD: | 1.4386 |
| logSw: | -3.104 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.794 |
| InChI Key: | MLWBZBOHEWKEFN-UHFFFAOYSA-N |