5-[(4-fluorophenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline

C17H12FN3O — CID 42598235

IUPAC5-[(4-fluorophenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline
SMILESFc1ccc(COc2cc3nncn3c3ccccc23)cc1
InChIInChI=1S/C17H12FN3O/c18-13-7-5-12(6-8-13)10-22-16-9-17-20-19-11-21(17)15-4-2-1-3-14(15)16/h1-9,11H,10H2
InChIKeyAIDFWSGWNRSETG-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.60
Rot. Bonds3

About 5-[(4-fluorophenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline

5-[(4-fluorophenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 42598235) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID42598235
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name5-[(4-fluorophenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline
SMILESFc1ccc(COc2cc3nncn3c3ccccc23)cc1
InChIInChI=1S/C17H12FN3O/c18-13-7-5-12(6-8-13)10-22-16-9-17-20-19-11-21(17)15-4-2-1-3-14(15)16/h1-9,11H,10H2
InChIKeyAIDFWSGWNRSETG-UHFFFAOYSA-N
XLogP3.60
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline (CID 42598235) is 5-[(4-fluorophenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline is Fc1ccc(COc2cc3nncn3c3ccccc23)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is AIDFWSGWNRSETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c18-13-7-5-12(6-8-13)10-22-16-9-17-20-19-11-21(17)15-4-2-1-3-14(15)16/h1-9,11H,10H2.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline?
5-[(4-fluorophenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 293.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 42598235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).