6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-3-(pyrrolidine-1-carbonyl)quinolin-4(1H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-3-(pyrrolidine-1-carbonyl)quinolin-4(1H)-one
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-3-(pyrrolidine-1-carbonyl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | C519-2013 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-3-(pyrrolidine-1-carbonyl)quinolin-4(1H)-one |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C25 H27 N3 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0427 |
| logD: | 3.0427 |
| logSw: | -3.6287 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.946 |
| InChI Key: | YRNQVTJGZTVSQN-UHFFFAOYSA-N |