N-(3-cyanophenyl)-2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxoquinolin-1(2H)-yl]acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxoquinolin-1(2H)-yl]acetamide
N-(3-cyanophenyl)-2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxoquinolin-1(2H)-yl]acetamide
Compound characteristics
| Compound ID: | J078-0900 |
| Compound Name: | N-(3-cyanophenyl)-2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxoquinolin-1(2H)-yl]acetamide |
| Molecular Weight: | 462.51 |
| Molecular Formula: | C28 H22 N4 O3 |
| Smiles: | C1CN(Cc2ccccc12)C(C1=CC(N(CC(Nc2cccc(C#N)c2)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4024 |
| logD: | 3.4023 |
| logSw: | -3.8313 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.135 |
| InChI Key: | PUDVSHCFXDYYCW-UHFFFAOYSA-N |