Basic information
- Standard SMILES
COc1cc2ncc(C#N)c(Nc3cccc(Cl)c3)c2cc1OC- InChIKey
HLBGGOYPNRIHFH-UHFFFAOYSA-N- Molecular formula
- C18H14ClN3O2
- Average molar mass
- 339.8 g/mol
- Monoisotopic mass
- 339.0774544
Names & identifiers
- Preferred name
- 4-[(3-Chlorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
- IUPAC
- 4-(3-chloroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
Names & synonyms
BDBM4446CHEMBL109428SCHEMBL6382117HLBGGOYPNRIHFH-UHFFFAOYSA-N4-[(3-chlorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile4-(3-Chlorophenylamino)-6,7-dimethoxyquinoline-3-carbonitrile4-[(3-chlorophenyl)amino]-6,7-dimethoxy-3-quinolinecarbonitrile
Database identifiers
- PubChem CID
- 5328841
- ChEMBL
CHEMBL109428- Nikkaji
- J1.401.569H
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 468
Related reactions
3 records
Compound notes
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