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

C18H15N3O — CID 42598472

IUPAC5-[(4-methylphenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1ccc(COc2cc3nncn3c3ccccc23)cc1
InChIInChI=1S/C18H15N3O/c1-13-6-8-14(9-7-13)11-22-17-10-18-20-19-12-21(18)16-5-3-2-4-15(16)17/h2-10,12H,11H2,1H3
InChIKeyAZIFEUZRENJESZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.77
Rot. Bonds3

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

5-[(4-methylphenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 42598472) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name5-[(4-methylphenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID42598472
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name5-[(4-methylphenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1ccc(COc2cc3nncn3c3ccccc23)cc1
InChIInChI=1S/C18H15N3O/c1-13-6-8-14(9-7-13)11-22-17-10-18-20-19-12-21(18)16-5-3-2-4-15(16)17/h2-10,12H,11H2,1H3
InChIKeyAZIFEUZRENJESZ-UHFFFAOYSA-N
XLogP3.77
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 5-[(4-methylphenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline (CID 42598472) is 5-[(4-methylphenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 5-[(4-methylphenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 5-[(4-methylphenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline is Cc1ccc(COc2cc3nncn3c3ccccc23)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is AZIFEUZRENJESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-13-6-8-14(9-7-13)11-22-17-10-18-20-19-12-21(18)16-5-3-2-4-15(16)17/h2-10,12H,11H2,1H3.
What are the key properties of 5-[(4-methylphenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline?
5-[(4-methylphenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 289.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methoxy]-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 42598472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).