Basic information
- Standard SMILES
N#CCc1ccc2ccc(C(N)=O)c(O)c2n1- InChIKey
PENQEUDWMZOPRR-UHFFFAOYSA-N- Molecular formula
- C12H9N3O2
- Average molar mass
- 227.22 g/mol
- Monoisotopic mass
- 227.06947654
Names & identifiers
- Preferred name
- Cyanomethyl-8-hydroxy-7-quinolinecarboxamide
- IUPAC
- 2-(cyanomethyl)-8-hydroxyquinoline-7-carboxamide
Names & synonyms
PENQEUDWMZOPRR-UHFFFAOYSA-Ncyanomethyl-8-hydroxy-7-quinolinecarboxamide
Database identifiers
- PubChem CID
- 86757553
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 349
Related reactions
1 records
Compound notes
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