N-{2-[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl)amino]ethyl}-N,N-dimethylprop-2-en-1-aminium--bromide (1/1)
Chemical Structure Depiction of
N-{2-[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl)amino]ethyl}-N,N-dimethylprop-2-en-1-aminium--bromide (1/1)
N-{2-[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl)amino]ethyl}-N,N-dimethylprop-2-en-1-aminium--bromide (1/1)
Compound characteristics
| Compound ID: | K844-1162 |
| Compound Name: | N-{2-[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl)amino]ethyl}-N,N-dimethylprop-2-en-1-aminium--bromide (1/1) |
| Molecular Weight: | 400.31 |
| Molecular Formula: | C17 H26 N3 O3 |
| Salt: | Br- |
| Smiles: | C[N+](C)(CCNC(C1=C(C2CCCCC=2NC1=O)O)=O)CC=C |
| Stereo: | ACHIRAL |
| logP: | 0.4966 |
| logD: | -1.7716 |
| logSw: | -1.4968 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.998 |
| InChI Key: | TVSNVEQUJQGUFP-UHFFFAOYSA-O |