Basic information
- Standard SMILES
CN(C)CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)c1ccnc2cc3c(cc12)OCO3- InChIKey
KEQBRHUJTUVKTQ-UHFFFAOYSA-N- Molecular formula
- C21H19BrN4O5
- Average molar mass
- 487.3 g/mol
- Monoisotopic mass
- 486.05388
Names & identifiers
- Preferred name
- N-(6,7-Methylenedioxyquinolin-4-yl)-N-(N,N-dimethylaminoethyl)-2-bromo-3-nitrobenzamide
- IUPAC
- 2-bromo-N-[2-(dimethylamino)ethyl]-N-([1,3]dioxolo[4,5-g]quinolin-8-yl)-3-nitrobenzamide
Names & synonyms
SCHEMBL5875888KEQBRHUJTUVKTQ-UHFFFAOYSA-NN-(6,7-Methylenedioxyquinolin-4-yl)-N-(N,N-dimethylaminoethyl)-2-bromo-3-nitrobenzamide
Database identifiers
- PubChem CID
- 11070967
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 662
Related reactions
2 records
Compound notes
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