Acetophenone, 2-hydroxy-2-((8-hydroxy-7-quinolyl)amino)-3'-nitro-
Basic information
- CAS
26866-70-6- Standard SMILES
O=C(c1cccc([N+](=O)[O-])c1)C(O)Nc1ccc2cccnc2c1O- InChIKey
GJOHBVXGLOXPBC-UHFFFAOYSA-N- Molecular formula
- C17H13N3O5
- Average molar mass
- 339.3 g/mol
- Monoisotopic mass
- 339.08552052
Names & identifiers
- Preferred name
- Acetophenone, 2-hydroxy-2-((8-hydroxy-7-quinolyl)amino)-3'-nitro-
- IUPAC
- 2-hydroxy-2-[(8-hydroxyquinolin-7-yl)amino]-1-(3-nitrophenyl)ethanone
Names & synonyms
BRN 044896126866-70-62-Hydroxy-2-((8-hydroxy-7-quinolyl)amino)-3'-nitroacetophenoneAcetophenone, 2-hydroxy-2-((8-hydroxy-7-quinolyl)amino)-3'-nitro-5-22-12-00144 (Beilstein Handbook Reference)RefChem:316916DTXSID409496662-Hydroxy-2-[(8-hydroxyquinolin-7-yl)amino]-1-(3-nitrophenyl)ethan-1-one
Database identifiers
- CAS
26866-70-6- PubChem CID
- 213686
- DTXSID
DTXSID40949666
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 497
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Compound notes
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