Basic information
- Standard SMILES
COc1cc2c(Nc3cc(O)c(Cl)cc3F)cnnc2cc1OCc1ccccc1- InChIKey
FWOFSDJQIFPZTP-UHFFFAOYSA-N- Molecular formula
- C22H17ClFN3O3
- Average molar mass
- 425.8 g/mol
Names & identifiers
- Preferred name
- 7-Benzyloxy-4-(4-chloro-2-fluoro-5-hydroxyanilino)-6-methoxycinnoline
- IUPAC
- 2-chloro-4-fluoro-5-[(6-methoxy-7-phenylmethoxycinnolin-4-yl)amino]phenol
Names & synonyms
SCHEMBL6098898FWOFSDJQIFPZTP-UHFFFAOYSA-N7-benzyloxy-4-(4-chloro-2-fluoro-5-hydroxyanilino)-6-methoxycinnoline
Database identifiers
- PubChem CID
- 21991047
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 542
Related reactions
5 records
Compound notes
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