Basic information
- CAS
438221-92-2- Standard SMILES
COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)c3cc(Br)ccc3n2)cc1- InChIKey
WQVUPBWXJNRYHN-UHFFFAOYSA-N- Molecular formula
- C29H26BrN3O3
- Average molar mass
- 544.4 g/mol
- Monoisotopic mass
- 543.11575
Names & identifiers
- Preferred name
- 1-[4-[4-[6-Bromo-2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]phenyl]ethanone
- IUPAC
- 1-[4-[4-[6-bromo-2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]phenyl]ethanone
- English name
- 1-[4-(4-{[6-bromo-2-(4-methoxyphenyl)-4-quinolinyl]carbonyl}-1-piperazinyl)phenyl]ethanone
- Molecular formula
- C29H26BrN3O3
- Molecular weight
- 544.44
Names & synonyms
1-[4-[4-[6-bromo-2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]phenyl]ethanone1-[4-(4-{[6-bromo-2-(4-methoxyphenyl)-4-quinolinyl]carbonyl}-1-piperazinyl)phenyl]ethanoneAK-968/41170493STK332794AKOS003308553ST508307921-acetyl-4-(4-{[6-bromo-2-(4-methoxyphenyl)(4-quinolyl)]carbonyl}piperazinyl)b enzene1-[4-(4-{[6-bromo-2-(4-methoxyphenyl)quinolin-4-yl]carbonyl}piperazin-1-yl)phenyl]ethanone438221-92-2Ethanone, 1-[4-[4-[[6-bromo-2-(4-methoxyphenyl)-4-quinolinyl]carbonyl]-1-piperazinyl]phenyl]-
Database identifiers
- CAS
438221-92-2- PubChem CID
- 997015
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 757
Physicochemical properties
- Boiling point
- 753.8 · 753.8±60.0 °C(Predicted)
- Density
- 1.381 · 1.381±0.06 g/cm3(Predicted)
- pka
- 3.33 · 3.33±0.33(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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