2-[4-(4-Pyridin-4-yl-4H-[1,2,4]triazol-3-yl)-phenoxymethyl]-quinoline

HCID 11610577
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Basic information

Standard SMILES
c1ccc2nc(COc3ccc(-c4nncn4-c4ccncc4)cc3)ccc2c1
InChIKey
NBPVYBUFEQJIJU-UHFFFAOYSA-N
Molecular formula
C23H17N5O
Average molar mass
379.4 g/mol

Names & identifiers

Preferred name
2-[4-(4-Pyridin-4-yl-4H-[1,2,4]triazol-3-yl)-phenoxymethyl]-quinoline
IUPAC
2-[[4-(4-pyridin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]quinoline

Names & synonyms

SCHEMBL3271022SCHEMBL30123543NBPVYBUFEQJIJU-UHFFFAOYSA-N2-[4-(4-Pyridin-4-yl-4H-[1,2,4]triazol-3-yl)-phenoxymethyl]-quinoline

Database identifiers

PubChem CID
11610577

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
65.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
29

Related reactions

3 records
New reaction record

Compound notes

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