Basic information
- Standard SMILES
COc1cc2c(Oc3ccc(Cl)cc3F)ccnc2cc1OCCn1cncn1- InChIKey
XPHDHWJBNUZXPG-UHFFFAOYSA-N- Molecular formula
- C20H16ClFN4O3
- Average molar mass
- 414.8 g/mol
Names & identifiers
- Preferred name
- 4-(4-Chloro-2-fluorophenoxy)-6-methoxy-7-[2-(1,2,4-triazol-1-yl)ethoxy]quinoline
- IUPAC
- 4-(4-chloro-2-fluorophenoxy)-6-methoxy-7-[2-(1,2,4-triazol-1-yl)ethoxy]quinoline
Database identifiers
- PubChem CID
- 22646602
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 522
Related reactions
1 records
Compound notes
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