Basic information
- Standard SMILES
COc1cc2ncc(C(N)=O)c(Nc3cccc(Br)c3)c2cc1OC- InChIKey
SMPOMXVCIHTEMB-UHFFFAOYSA-N- Molecular formula
- C18H16BrN3O3
- Average molar mass
- 402.2 g/mol
Names & identifiers
- Preferred name
- 4-[(3-Bromophenyl)amino]-6,7-dimethoxy-3-quinolinecarboxamide
- IUPAC
- 4-(3-bromoanilino)-6,7-dimethoxyquinoline-3-carboxamide
Names & synonyms
BDBM4484CHEMBL114446SCHEMBL5929711SMPOMXVCIHTEMB-UHFFFAOYSA-N4-[(3-Bromophenyl)amino]-6,7-dimethoxy-3-quinolinecarboxamide4-[(3-bromophenyl)amino]-6,7-dimethoxyquinoline-3-carboxamide4-(3-Bromophenylamino)-6,7-dimethoxyquinoline-3-carboxylic Acid Amide
Database identifiers
- PubChem CID
- 5328879
- ChEMBL
CHEMBL114446
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 467
Related reactions
6 records
Compound notes
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