Basic information
- CAS
444906-36-9- Standard SMILES
Cc1ccc(-c2cc(C(=O)N3CCCCCC3)c3cc(Br)ccc3n2)cc1- InChIKey
QEIMKJFJQHTEKD-UHFFFAOYSA-N- Molecular formula
- C23H23BrN2O
- Average molar mass
- 423.3 g/mol
- Monoisotopic mass
- 422.09938
Names & identifiers
- Preferred name
- Azepan-1-yl-[6-bromo-2-(4-methylphenyl)quinolin-4-yl]methanone
- IUPAC
- azepan-1-yl-[6-bromo-2-(4-methylphenyl)quinolin-4-yl]methanone
- English name
- 4-(1-azepanylcarbonyl)-6-bromo-2-(4-methylphenyl)quinoline
- Molecular formula
- C23H23BrN2O
- Molecular weight
- 423.34552
Names & synonyms
Oprea1_345306azepan-1-yl-[6-bromo-2-(4-methylphenyl)quinolin-4-yl]methanoneSTK422379AKOS003279759ST50930551AK-968/153617311-azepanyl[6-bromo-2-(4-methylphenyl)-4-quinolyl]methanone4-(1-azepanylcarbonyl)-6-bromo-2-(4-methylphenyl)quinolineazepan-1-yl[6-bromo-2-(4-methylphenyl)quinolin-4-yl]methanone(azepan-1-yl)[6-bromo-2-(4-methylphenyl)quinolin-4-yl]methanoneazaperhydroepinyl 6-bromo-2-(4-methylphenyl)(4-quinolyl) ketone
Database identifiers
- CAS
444906-36-9- PubChem CID
- 997903
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 497
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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