Basic information
- Standard SMILES
COc1ccc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1- InChIKey
JVSMBUXACUSJML-UHFFFAOYSA-N- Molecular formula
- C23H17N3O2
- Average molar mass
- 367.4 g/mol
Names & identifiers
- Preferred name
- 6-Methoxy-4-(4-phenoxy-phenylamino)-quinoline-3-carbonitrile
- IUPAC
- 6-methoxy-4-(4-phenoxyanilino)quinoline-3-carbonitrile
Names & synonyms
CHEMBL977146-Methoxy-4-(4-phenoxy-phenylamino)-quinoline-3-carbonitrileJVSMBUXACUSJML-UHFFFAOYSA-NBDBM50095236
Database identifiers
- PubChem CID
- 44328166
- ChEMBL
CHEMBL97714- Nikkaji
- J1.446.038A
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 533
Related reactions
1 records
Compound notes
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