Basic information
- Standard SMILES
CN(C)CCN1C(=O)CCc2cc([N+](=O)[O-])ccc21- InChIKey
PQDNVWYNODNNSU-UHFFFAOYSA-N- Molecular formula
- C13H17N3O3
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.12699141
Names & identifiers
- Preferred name
- 1-(2-(dimethylamino)ethyl)-6-nitro-3,4-dihydroquinolin-2(1H)-one
- IUPAC
- 1-[2-(dimethylamino)ethyl]-6-nitro-3,4-dihydroquinolin-2-one
Names & synonyms
SCHEMBL2675597PQDNVWYNODNNSU-UHFFFAOYSA-N1-(2-(dimethylamino)ethyl)-6-nitro-3,4-dihydroquinolin-2(1H)-one
Database identifiers
- PubChem CID
- 53392091
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 354
Related reactions
13 records
Compound notes
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