Basic information
- Standard SMILES
COCCOc1cc2nccc(Oc3ccc([N+](=O)[O-])c(F)c3)c2cc1C#N- InChIKey
SEXBTMPJLJAVEQ-UHFFFAOYSA-N- Molecular formula
- C19H14FN3O5
- Average molar mass
- 383.3 g/mol
- Monoisotopic mass
- 383.09174872
Names & identifiers
- Preferred name
- 6-Cyano-4-(3-fluoro-4-nitrophenoxy)-7-(2-methoxyethoxy)quinoline
- IUPAC
- 4-(3-fluoro-4-nitrophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile
Names & synonyms
SCHEMBL1894631SEXBTMPJLJAVEQ-UHFFFAOYSA-N6-Cyano-4-(3-fluoro-4-nitrophenoxy)-7-(2-methoxyethoxy)quinoline
Database identifiers
- PubChem CID
- 22936573
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 580
Related reactions
5 records
Compound notes
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