4'-Chloro-2-hydroxy-2-((8-hydroxy-7-quinolyl)amino)-3'-nitroacetophenone
Basic information
- CAS
26942-54-1- Standard SMILES
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)C(O)Nc1ccc2cccnc2c1O- InChIKey
OMFFUSLLXYSREZ-UHFFFAOYSA-N- Molecular formula
- C17H12ClN3O5
- Average molar mass
- 373.7 g/mol
- Monoisotopic mass
- 373.0465482
Names & identifiers
- Preferred name
- 4'-Chloro-2-hydroxy-2-((8-hydroxy-7-quinolyl)amino)-3'-nitroacetophenone
- IUPAC
- 1-(4-chloro-3-nitrophenyl)-2-hydroxy-2-[(8-hydroxyquinolin-7-yl)amino]ethanone
Names & synonyms
26942-54-1BRN 04564154'-Chloro-2-hydroxy-2-((8-hydroxy-7-quinolyl)amino)-3'-nitroacetophenoneAcetophenone, 4'-chloro-2-hydroxy-2-((8-hydroxy-7-quinolyl)amino)-3'-nitro-DTXSID609497241-(4-Chloro-3-nitrophenyl)-2-hydroxy-2-[(8-hydroxyquinolin-7-yl)amino]ethan-1-one
Database identifiers
- CAS
26942-54-1- PubChem CID
- 213712
- DTXSID
DTXSID60949724
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 531
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Compound notes
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