Basic information
- Standard SMILES
COCCOc1cc2nncc(Nc3ccc(Br)cc3F)c2cc1OC- InChIKey
ISMASPCUSQJIOZ-UHFFFAOYSA-N- Molecular formula
- C18H17BrFN3O3
- Average molar mass
- 422.2 g/mol
Names & identifiers
- Preferred name
- 4-(4-Bromo-2-fluoroanilino)-6-methoxy-7-(2-methoxyethoxy)cinnoline
- IUPAC
- N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)cinnolin-4-amine
Names & synonyms
SCHEMBL6097222ISMASPCUSQJIOZ-UHFFFAOYSA-N4-(4-bromo-2-fluoroanilino)-6-methoxy-7-(2-methoxyethoxy)cinnoline
Database identifiers
- PubChem CID
- 21991041
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 436
Related reactions
3 records
Compound notes
Loading…