Basic information
- Standard SMILES
CC1=CC(c2cccc(Br)c2)C2=C(CCCC2=O)N1- InChIKey
PWVQJZJDOCNGQV-UHFFFAOYSA-N- Molecular formula
- C16H16BrNO
- Average molar mass
- 318.21 g/mol
Names & identifiers
- Preferred name
- 4-(3-Bromophenyl)-2-methyl-4,6,7,8-tetrahydro-5(1H)-quinolone
- IUPAC
- 4-(3-bromophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
Names & synonyms
SCHEMBL7835633PWVQJZJDOCNGQV-UHFFFAOYSA-N4-(3-Bromophenyl)-2-methyl-4,6,7,8-tetrahydro-5(1H)-quinolone
Database identifiers
- PubChem CID
- 19958898
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 452
Related reactions
2 records
Compound notes
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