Basic information
- Standard SMILES
CC(C)(O)c1ccc2c(c1)CCN(c1cccc(Br)c1C=O)C2=O- InChIKey
VRFXHXYFNWBRKG-UHFFFAOYSA-N- Molecular formula
- C19H18BrNO3
- Average molar mass
- 388.3 g/mol
- Monoisotopic mass
- 387.04701
Names & identifiers
- Preferred name
- 2-Bromo-6-[6-(1-hydroxy-1-methyl-ethyl)-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-benzaldehyde
- IUPAC
- 2-bromo-6-[6-(2-hydroxypropan-2-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]benzaldehyde
Names & synonyms
SCHEMBL14646766VRFXHXYFNWBRKG-UHFFFAOYSA-N2-Bromo-6-[6-(1-hydroxy-1-methyl-ethyl)-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-benzaldehyde
Database identifiers
- PubChem CID
- 86731002
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 495
Related reactions
2 records
Compound notes
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