Basic information
- Standard SMILES
COc1ccc(CNc2cc3c(Nc4cccc(Br)c4)c(C#N)cnc3cn2)cc1- InChIKey
JUUSDSKOIBWSDA-UHFFFAOYSA-N- Molecular formula
- C23H18BrN5O
- Average molar mass
- 460.3 g/mol
- Monoisotopic mass
- 459.06947
Names & identifiers
- Preferred name
- 4-(3-Bromo-phenylamino)-6-(4-methoxy-benzylamino)-[1,7]naphthyridine-3-carbonitrile
- IUPAC
- 4-(3-bromoanilino)-6-[(4-methoxyphenyl)methylamino]-1,7-naphthyridine-3-carbonitrile
Names & synonyms
SCHEMBL4769778JUUSDSKOIBWSDA-UHFFFAOYSA-N4-(3-bromo-phenylamino)-6-(4-methoxy-benzylamino)-[1,7]naphthyridine-3-carbonitrile4-(3-bromo-phenylamino)-6-(4-methoxy-benzylamino)-[1.7]naphthyridine-3-carbonitrile
Database identifiers
- PubChem CID
- 12969105
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 589
Related reactions
6 records
Compound notes
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