Basic information
- Standard SMILES
N#Cc1cnc2ccc([N+](=O)[O-])cc2c1Nc1ccc(Br)c(Br)c1- InChIKey
RUGCZQOSGFAGFE-UHFFFAOYSA-N- Molecular formula
- C16H8Br2N4O2
- Average molar mass
- 448.07 g/mol
- Monoisotopic mass
- 445.9014
Names & identifiers
- Preferred name
- 4-[(3,4-Dibromophenyl)amino]-6-nitro-quinoline-3-carbonitrile
- IUPAC
- 4-(3,4-dibromoanilino)-6-nitroquinoline-3-carbonitrile
Names & synonyms
SCHEMBL1894099RUGCZQOSGFAGFE-UHFFFAOYSA-N4-[(3,4-dibromophenyl)amino]-6-nitro-quinoline-3-carbonitrile4-(3,4-dibromophenylamino)-6-nitroquinoline-3-carbonitrile4-[(3,4-Dibromophenyl)amino]-6-nitro-3-quinolinecarbonitrile
Database identifiers
- PubChem CID
- 10114652
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 520
Related reactions
15 records
Compound notes
Loading…