Basic information
- Standard SMILES
COc1ccc2c(OCc3nnc4ccc(C#N)cn34)ccnc2c1- InChIKey
OAMIWAJQGUOBOU-UHFFFAOYSA-N- Molecular formula
- C18H13N5O2
- Average molar mass
- 331.3 g/mol
Names & identifiers
- Preferred name
- 3-((7-Methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
- IUPAC
- 3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Names & synonyms
SCHEMBL2698133OAMIWAJQGUOBOU-UHFFFAOYSA-NBDBM164437US9066954, 883-((7-methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Database identifiers
- PubChem CID
- 67503244
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 509
Related reactions
17 records
Compound notes
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