Basic information
- Standard SMILES
CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3ccc(Br)c(Br)c3)c2c1- InChIKey
NHMLTTGVAYCKEO-UHFFFAOYSA-N- Molecular formula
- C20H12Br2N4O
- Average molar mass
- 484.1 g/mol
Names & identifiers
- Preferred name
- N-[4-[(3,4-dibromophenyl)amino]-3-cyano-6-quinolinyl]-2-butynamide
- IUPAC
- N-[3-cyano-4-(3,4-dibromoanilino)quinolin-6-yl]but-2-ynamide
Names & synonyms
SCHEMBL6383422NHMLTTGVAYCKEO-UHFFFAOYSA-NN-[4-[(3,4-dibromophenyl)amino]-3-cyano-6-quinolinyl]-2-butynamide
Database identifiers
- PubChem CID
- 10299692
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 663
Related reactions
3 records
Compound notes
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