5-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoline

C17H13N3O — CID 42598232

IUPAC5-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoline
SMILESc1ccc(COc2cc3nncn3c3ccccc23)cc1
InChIInChI=1S/C17H13N3O/c1-2-6-13(7-3-1)11-21-16-10-17-19-18-12-20(17)15-9-5-4-8-14(15)16/h1-10,12H,11H2
InChIKeyBKUMSRDWJGEBCY-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.46
Rot. Bonds3

About 5-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoline

5-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 42598232) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name5-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID42598232
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name5-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoline
SMILESc1ccc(COc2cc3nncn3c3ccccc23)cc1
InChIInChI=1S/C17H13N3O/c1-2-6-13(7-3-1)11-21-16-10-17-19-18-12-20(17)15-9-5-4-8-14(15)16/h1-10,12H,11H2
InChIKeyBKUMSRDWJGEBCY-UHFFFAOYSA-N
XLogP3.46
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 5-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoline (CID 42598232) is 5-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 5-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 5-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoline is c1ccc(COc2cc3nncn3c3ccccc23)cc1.
What is the InChIKey of 5-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is BKUMSRDWJGEBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-2-6-13(7-3-1)11-21-16-10-17-19-18-12-20(17)15-9-5-4-8-14(15)16/h1-10,12H,11H2.
What are the key properties of 5-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoline?
5-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 275.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 42598232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).