Basic information
- Standard SMILES
COc1cc2c(Nc3cc(O)c(C)cc3F)cnnc2cc1OCc1ccncc1- InChIKey
QDDBVYAZVSTCFM-UHFFFAOYSA-N- Molecular formula
- C22H19FN4O3
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.14411864
Names & identifiers
- Preferred name
- 4-Fluoro-5-[[6-methoxy-7-(pyridin-4-ylmethoxy)cinnolin-4-yl]amino]-2-methylphenol
- IUPAC
- 4-fluoro-5-[[6-methoxy-7-(pyridin-4-ylmethoxy)cinnolin-4-yl]amino]-2-methylphenol
Database identifiers
- PubChem CID
- 21991056
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 539
Related reactions
1 records
Compound notes
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