Basic information
- CAS
72141-43-6- Standard SMILES
O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCNCC1- InChIKey
QLOJSDFOYLGRGV-UHFFFAOYSA-N- Molecular formula
- C21H19F3N4O
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.15109573
Names & identifiers
- Preferred name
- 1-Piperazinyl(4-((7-(trifluoromethyl)-4-quinolinyl)amino)phenyl)methanone
- IUPAC
- piperazin-1-yl-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
- English name
- Piperazine, 1-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-
- Molecular formula
- C21H19F3N4O
- Molecular weight
- 400.4
Names & synonyms
72141-43-6RefChem:10567011-Piperazinyl(4-((7-(trifluoromethyl)-4-quinolinyl)amino)phenyl)methanone1-(4-((7-(Trifluoromethyl)-4-quinolinyl)amino)benzoyl)piperazineBRN 62448491-[4-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoyl]piperazinePiperazine, 1-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-CHEMBL29751SCHEMBL7372028SCHEMBL29809968DTXSID40992859GS3408
Show more names
Methanone, 1-piperazinyl[4-[[7-(trifluoromethyl)-4-quinolinyl]amino]phenyl]-
4-[4-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoyl]piperazinepiperazin-1-yl(4-((7-(trifluoromethyl)quinolin-4-yl)amino)phenyl)methanone(Piperazin-1-yl)(4-{[7-(trifluoromethyl)quinolin-4-yl]amino}phenyl)methanone
Database identifiers
- CAS
72141-43-6- PubChem CID
- 3055243
- DTXSID
DTXSID40992859- ChEMBL
CHEMBL29751
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 559
Physicochemical properties
- Boiling point
- 558.8 · 558.8±50.0 °C(Predicted)
- Density
- 1.346 · 1.346±0.06 g/cm3(Predicted)
- pka
- 8.39 · 8.39±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
31 records
Compound notes
Loading…