3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one
Basic information
- CAS
846-66-2- Standard SMILES
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1=O- InChIKey
BOBCQOOZINHVMK-UHFFFAOYSA-N- Molecular formula
- C17H23NO3
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.1677936
Overview
3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one is a member of isoquinolines.
Names & identifiers
- Preferred name
- 3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one
- IUPAC
- 3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
Names & synonyms
846-66-23-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-oneNSC490073-Ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-oneCHEBI:79434DTXSID00287117NSC-49007NS00057389Q27148490
Database identifiers
- CAS
846-66-2- PubChem CID
- 241545
- DTXSID
DTXSID00287117- ChEBI
CHEBI:79434- Nikkaji
- J2.790.423H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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