Basic information
- Standard SMILES
CCc1ccc(C(=O)c2cn(Cc3cccc(Br)n3)c3ccccc3c2=O)cc1- InChIKey
SHINYRALFQECPV-UHFFFAOYSA-N- Molecular formula
- C24H19BrN2O2
- Average molar mass
- 447.3 g/mol
Names & identifiers
- Preferred name
- 1-(6-Bromo-pyridin-2-ylmethyl)-3-(4-ethyl-benzoyl)-1H-quinolin-4-one
- IUPAC
- 1-[(6-bromo-2-pyridinyl)methyl]-3-(4-ethylbenzoyl)quinolin-4-one
Names & synonyms
SCHEMBL1082133SHINYRALFQECPV-UHFFFAOYSA-N1-(6-Bromo-pyridin-2-ylmethyl)-3-(4-ethyl-benzoyl)-1H-quinolin-4-one
Database identifiers
- PubChem CID
- 57754591
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 641
Related reactions
1 records
Compound notes
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