7H-Benzo(de)quinolin-7-one, 1,2,3,8,9,9a-hexahydro-6-hydroxy-5-methoxy-1-methyl-
Basic information
- CAS
17432-12-1- Standard SMILES
COc1cc2c3c(c1O)C(=O)CCC3N(C)CC2- InChIKey
VNNHVWOIKOVAAV-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Names & identifiers
- Preferred name
- 7H-Benzo(de)quinolin-7-one, 1,2,3,8,9,9a-hexahydro-6-hydroxy-5-methoxy-1-methyl-
- IUPAC
- 6-hydroxy-5-methoxy-1-methyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-7-one
Names & synonyms
BRN 15405236-Hydroxy-5-methoxy-1-methyl-1,2,3,8,9,9a-hexahydro-7H-benzo(de)quinolin-7-one17432-12-12,3,7,8,9,9a-Hexahydro-6-hydroxy-5-methoxy-1-methyl-1H-benzo(de)chinolin-7-on [German]7H-Benzo(de)quinolin-7-one, 1,2,3,8,9,9a-hexahydro-6-hydroxy-5-methoxy-1-methyl-2,3,7,8,9,9a-Hexahydro-6-hydroxy-5-methoxy-1-methyl-1H-benzo(de)chinolin-7-on6-hydroxy-5-methoxy-1-methyl-1,2,3,8,9,9a-hexahydro-7H-benzo[de]quinolin-7-oneRefChem:311372DTXSID909385006-Hydroxy-5-methoxy-1-methyl-1,2,3,8,9,9a-hexahydro-7H-benzo[de]quinolin-7-onato
Database identifiers
- CAS
17432-12-1- PubChem CID
- 205113
- DTXSID
DTXSID90938500
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 346
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Compound notes
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