Basic information
- Standard SMILES
CN(C)CCOc1cc2c(Nc3ccc(Cl)cc3Cl)c(C#N)cnc2cn1- InChIKey
PWNAOLKIEHGAIN-UHFFFAOYSA-N- Molecular formula
- C19H17Cl2N5O
- Average molar mass
- 402.3 g/mol
- Monoisotopic mass
- 401.0810156
Names & identifiers
- Preferred name
- 4-(2,4-Dichloro-phenylamino)-6-(2-dimethylamino-ethoxy)-[1,7]naphthyridine-3-carbonitrile
- IUPAC
- 4-(2,4-dichloroanilino)-6-[2-(dimethylamino)ethoxy]-1,7-naphthyridine-3-carbonitrile
Names & synonyms
SCHEMBL6642589PWNAOLKIEHGAIN-UHFFFAOYSA-N4-(2,4-dichloro-phenylamino)-6-(2-dimethylamino-ethoxy)-[1,7]naphthyridine-3-carbonitrile4-(2,4-dichloro-phenylamino)-6-(2-dimethylamino-ethoxy)-[1.7]naphthyridine-3-carbonitrile
Database identifiers
- PubChem CID
- 18548972
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 527
Related reactions
2 records
Compound notes
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