2-[4-(5-Pyridin-4-yl-[1,2,4]triazol-1-yl)-phenoxymethyl]-quinoline
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Basic information
- Standard SMILES
c1ccc2nc(COc3ccc(-n4ncnc4-c4ccncc4)cc3)ccc2c1- InChIKey
HMRVDKWASFSAKY-UHFFFAOYSA-N- Molecular formula
- C23H17N5O
- Average molar mass
- 379.4 g/mol
Names & identifiers
- Preferred name
- 2-[4-(5-Pyridin-4-yl-[1,2,4]triazol-1-yl)-phenoxymethyl]-quinoline
- IUPAC
- 2-[[4-(5-pyridin-4-yl-1,2,4-triazol-1-yl)phenoxy]methyl]quinoline
Names & synonyms
SCHEMBL3270389SCHEMBL30123632HMRVDKWASFSAKY-UHFFFAOYSA-N2-[4-(5-Pyridin-4-yl-[1,2,4]triazol-1-yl)-phenoxymethyl]-quinoline2-[4-(5-Pyridin4-yl-[1,2,4]triazol-1-yl)-phenoxymethyl]-quinoline
Database identifiers
- PubChem CID
- 11660880
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 505
Related reactions
9 records
Compound notes
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