Basic information
- Standard SMILES
COc1cc2c(Nc3cc(O)c(C)cc3F)cnnc2cc1OCc1ccncc1.Cl- InChIKey
QYYDDEHKNUWPIK-UHFFFAOYSA-N- Molecular formula
- C22H20ClFN4O3
- Average molar mass
- 442.9 g/mol
Names & identifiers
- Preferred name
- 4-(2-Fluoro-5-hydroxy-4-methylanilino)-6-methoxy-7-(4-pyridylmethoxy)cinnoline hydrochloride
- IUPAC
- 4-fluoro-5-[[6-methoxy-7-(pyridin-4-ylmethoxy)cinnolin-4-yl]amino]-2-methylphenol;hydrochloride
Names & synonyms
SCHEMBL6096612QYYDDEHKNUWPIK-UHFFFAOYSA-N4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxy-7-(4-pyridylmethoxy)cinnoline hydrochloride
Database identifiers
- PubChem CID
- 21991055
Properties
Computed structural properties
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 539
Related reactions
2 records
Compound notes
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