1-[(1E)-1-[(3,4-dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-yl]ethanone
Basic information
- CAS
2129-59-1- Standard SMILES
COc1ccc(/C=C2\c3cc(OC)c(OC)cc3CCN2C(C)=O)cc1OC- InChIKey
UKWPGQNUELVLGE-VCHYOVAHSA-N- Molecular formula
- C22H25NO5
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.1732729
Names & identifiers
- Preferred name
- 1-[(1E)-1-[(3,4-dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-yl]ethanone
- IUPAC
- 1-[(1E)-1-[(3,4-dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-yl]ethanone
Names & synonyms
NSC1432422129-59-1SCHEMBL8726302NSC-143242
Database identifiers
- CAS
2129-59-1- PubChem CID
- 6186038
- Nikkaji
- J575.955B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…