Basic information
- CAS
62041-66-1- Standard SMILES
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1(O)C#N- InChIKey
MDLLTBLACCNBNJ-UHFFFAOYSA-N- Molecular formula
- C18H24N2O3
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.17869263
Names & identifiers
- Preferred name
- 3-Ethyl-2-hydroxy-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2-carbonitrile
- IUPAC
- 3-ethyl-2-hydroxy-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2-carbonitrile
Names & synonyms
62041-66-1NSC2821573-ethyl-2-hydroxy-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2-carbonitrileDTXSID40314370NSC-282157DS-0041222H-benzo[a]quinolizine-2-carbonitrile, 3-ethyl-1,3,4,6,7,11b-hexahydro-2-hydroxy-9,10-dimethoxy-3-Ethyl-2-hydroxy-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-2-carbonitrile
Database identifiers
- CAS
62041-66-1- PubChem CID
- 323264
- DTXSID
DTXSID40314370
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…