8-Bromo-4-methyl-1,2,3,4,5,6-hexahydrobenzo[f]quinolin-3-one
Basic information
- Standard SMILES
CN1C(=O)CCC2=C1CCc1cc(Br)ccc12- InChIKey
VOWRIJSGPXGDQL-UHFFFAOYSA-N- Molecular formula
- C14H14BrNO
- Average molar mass
- 292.17 g/mol
Names & identifiers
- Preferred name
- 8-Bromo-4-methyl-1,2,3,4,5,6-hexahydrobenzo[f]quinolin-3-one
- IUPAC
- 8-bromo-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one
Names & synonyms
CHEMBL16494SCHEMBL8370484VOWRIJSGPXGDQL-UHFFFAOYSA-NBDBM504031788-bromo-4-methyl-1,2,3,4,5,6-hexahydrobenzo[f]quinolin-3-one
Database identifiers
- PubChem CID
- 22909503
- ChEMBL
CHEMBL16494
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 376
Related reactions
2 records
Compound notes
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