N-benzyl-1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
N-benzyl-1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Compound characteristics
| Compound ID: | D501-0059 |
| Compound Name: | N-benzyl-1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide |
| Molecular Weight: | 459.93 |
| Molecular Formula: | C26 H22 Cl N3 O3 |
| Smiles: | Cc1c(cccc1[Cl])NC(CN1C(C=C(C(NCc2ccccc2)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8385 |
| logD: | 3.8382 |
| logSw: | -4.2191 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.484 |
| InChI Key: | SPWSVGZIWJKHBJ-UHFFFAOYSA-N |