8,9-Dimethoxy-1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one
Basic information
- CAS
81583-49-5- Standard SMILES
COc1cc2c(cc1OC)C1N(CC2)C(=O)NC1(C)C- InChIKey
HISQQEONFBUPQK-UHFFFAOYSA-N- Molecular formula
- C15H20N2O3
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.1473925
Names & identifiers
- Preferred name
- 8,9-Dimethoxy-1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one
- IUPAC
- 8,9-dimethoxy-1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one
Names & synonyms
81583-49-5NSC3681688,9-dimethoxy-1,1-dimethyl-2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-oneCHEMBL348392DTXSID30321033NSC-3681688,9-Dimethoxy-1,1-dimethyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3(2H)-one
Database identifiers
- CAS
81583-49-5- PubChem CID
- 339875
- DTXSID
DTXSID30321033- ChEMBL
CHEMBL348392
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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