Basic information
- Standard SMILES
N#Cc1ccc2c(c1)[nH]c(=O)c1sccc12- InChIKey
HYBMJWSLPGCPEB-UHFFFAOYSA-N- Molecular formula
- C12H6N2OS
- Average molar mass
- 226.26 g/mol
- Monoisotopic mass
- 226.02008399
Names & identifiers
- Preferred name
- 4-Oxo-4,5-dihydrothieno[2,3-c]quinoline-7-carbonitrile
- IUPAC
- 4-oxo-5H-thieno[2,3-c]quinoline-7-carbonitrile
Names & synonyms
SCHEMBL2689055HYBMJWSLPGCPEB-UHFFFAOYSA-N4-oxo-4,5-dihydrothieno[2,3-c]quinoline-7-carbonitrile
Database identifiers
- PubChem CID
- 57500686
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 361
Related reactions
3 records
Compound notes
Loading…