Basic information
- Standard SMILES
N#Cc1cnc2cc(C#CCO)ccc2c1Nc1ccc(Cl)cc1Cl- InChIKey
NBBNTFMAAGCYRN-UHFFFAOYSA-N- Molecular formula
- C19H11Cl2N3O
- Average molar mass
- 368.2 g/mol
- Monoisotopic mass
- 367.0279174
Names & identifiers
- Preferred name
- 4-(2,4-Dichloroanilino)-7-(3-hydroxyprop-1-ynyl)quinoline-3-carbonitrile
- IUPAC
- 4-(2,4-dichloroanilino)-7-(3-hydroxyprop-1-ynyl)quinoline-3-carbonitrile
Names & synonyms
SCHEMBL3262046
Database identifiers
- PubChem CID
- 10109577
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 577
Related reactions
1 records
Compound notes
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