Basic information
- Standard SMILES
COc1cc2nncc(Nc3cc(O)c(C)cc3F)c2cc1OC- InChIKey
DCELIOVICJJILC-UHFFFAOYSA-N- Molecular formula
- C17H16FN3O3
- Average molar mass
- 329.32 g/mol
Names & identifiers
- Preferred name
- 4-(2-Fluoro-5-hydroxy-4-methylanilino)-6,7-dimethoxycinnoline
- IUPAC
- 5-[(6,7-dimethoxycinnolin-4-yl)amino]-4-fluoro-2-methylphenol
Names & synonyms
SCHEMBL5245510DCELIOVICJJILC-UHFFFAOYSA-N4-(2-fluoro-5-hydroxy-4-methylanilino)-6,7-dimethoxycinnoline
Database identifiers
- PubChem CID
- 21991040
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
Related reactions
3 records
Compound notes
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