Basic information
- CAS
87656-91-5- Standard SMILES
COc1cc(OC)c2c(c1)C1=C(CC2)NC(=O)CC1- InChIKey
ACUDWFSLZBADIP-UHFFFAOYSA-N- Molecular formula
- C15H17NO3
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.1208434
Names & identifiers
- Preferred name
- 7,9-dimethoxy-1,4,5,6-tetrahydrobenzo[f]quinolin-3(2H)-one
- IUPAC
- 7,9-dimethoxy-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
Names & synonyms
7,9-dimethoxy-1,4,5,6-tetrahydrobenzo[f]quinolin-3(2H)-one87656-91-5DTXSID106481147,9-dimethoxy-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
Database identifiers
- CAS
87656-91-5- PubChem CID
- 24971925
- DTXSID
DTXSID10648114
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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