Basic information
- Standard SMILES
CN1CC(C#N)C(=O)c2cc3cc(F)c(F)cc3nc21- InChIKey
BAXULABNRHCICI-UHFFFAOYSA-N- Molecular formula
- C14H9F2N3O
- Average molar mass
- 273.24 g/mol
- Monoisotopic mass
- 273.07136824
Names & identifiers
- Preferred name
- 3-Cyano-7,8-difluoro-1-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b][1,8]naphthyridine
- IUPAC
- 7,8-difluoro-1-methyl-4-oxo-2,3-dihydrobenzo[b][1,8]naphthyridine-3-carbonitrile
Names & synonyms
SCHEMBL9096319BAXULABNRHCICI-UHFFFAOYSA-N3--cyano-7,8-difluoro-1-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b][1,8]naphthyridine3-cyano-7,8-difluoro-1-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b][1,8]naphthyridine3-cyano-7,8-difluoro-1-methyl-4-oxo-1,2,3,4tetrahydrobenzo[b][1,8]naphthyridine
Database identifiers
- PubChem CID
- 18994591
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 463
Related reactions
4 records
Linked notes
Loading…