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

C17H15N3O — CID 24849068

IUPAC7-phenylmethoxy-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESc1ccc(COc2ccc3c(c2)CCc2nncn2-3)cc1
InChIInChI=1S/C17H15N3O/c1-2-4-13(5-3-1)11-21-15-7-8-16-14(10-15)6-9-17-19-18-12-20(16)17/h1-5,7-8,10,12H,6,9,11H2
InChIKeyOBQQUSIDALXHDB-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.94
Rot. Bonds3

About 7-phenylmethoxy-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

7-phenylmethoxy-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 24849068) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 7-phenylmethoxy-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name7-phenylmethoxy-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID24849068
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name7-phenylmethoxy-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESc1ccc(COc2ccc3c(c2)CCc2nncn2-3)cc1
InChIInChI=1S/C17H15N3O/c1-2-4-13(5-3-1)11-21-15-7-8-16-14(10-15)6-9-17-19-18-12-20(16)17/h1-5,7-8,10,12H,6,9,11H2
InChIKeyOBQQUSIDALXHDB-UHFFFAOYSA-N
XLogP2.94
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-phenylmethoxy-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 7-phenylmethoxy-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (CID 24849068) is 7-phenylmethoxy-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 7-phenylmethoxy-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 7-phenylmethoxy-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is c1ccc(COc2ccc3c(c2)CCc2nncn2-3)cc1.
What is the InChIKey of 7-phenylmethoxy-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is OBQQUSIDALXHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-2-4-13(5-3-1)11-21-15-7-8-16-14(10-15)6-9-17-19-18-12-20(16)17/h1-5,7-8,10,12H,6,9,11H2.
What are the key properties of 7-phenylmethoxy-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
7-phenylmethoxy-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 277.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylmethoxy-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 24849068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).