Basic information
- Standard SMILES
COc1ccc2c(c1)CCN1C(=O)C3=C(CC21)NCCC3- InChIKey
GSVZLSWCPSQCKB-UHFFFAOYSA-N- Molecular formula
- C17H20N2O2
- Average molar mass
- 284.35 g/mol
Names & identifiers
- Preferred name
- (+/-)-3-Methoxy-5,6,9,10,11,12,13,13a-octahydroisoquino[2,1-g][1,6]naphthyridin-8-one
- IUPAC
- 3-methoxy-5,6,9,10,11,12,13,13a-octahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one
Names & synonyms
SCHEMBL9582433GSVZLSWCPSQCKB-UHFFFAOYSA-N(+/-)-3-methoxy-5,6,9,10,11,12,13,13a-octahydroisoquino[2,1-g][1,6]naphthyridin-8-one
Database identifiers
- PubChem CID
- 9971129
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 473
Related reactions
2 records
Compound notes
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