Basic information
- Standard SMILES
O=[N+]([O-])c1cnc2ccccc2c1N[C@H](CO)Cc1ccc(O)cc1- InChIKey
BCLAYZCRHWJULA-ZDUSSCGKSA-N- Molecular formula
- C18H17N3O4
- Average molar mass
- 339.3 g/mol
Names & identifiers
- Preferred name
- 4-{(2S)-3-Hydroxy-2-[(3-nitroquinolin-4-yl)amino]propyl}phenol
- IUPAC
- 4-[(2S)-3-hydroxy-2-[(3-nitroquinolin-4-yl)amino]propyl]phenol
Names & synonyms
SCHEMBL1774380BCLAYZCRHWJULA-ZDUSSCGKSA-N4-{(2S)-3-Hydroxy-2-[(3-nitroquinolin-4-yl)amino]propyl}phenol
Database identifiers
- PubChem CID
- 67156590
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 437
Related reactions
3 records
Compound notes
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