3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole

C17H12N4O2 — CID 665532

IUPAC3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1nc2ccccc2cc1-c1noc(-c2cccnc2)n1
InChIInChI=1S/C17H12N4O2/c1-22-17-13(9-11-5-2-3-7-14(11)19-17)15-20-16(23-21-15)12-6-4-8-18-10-12/h2-10H,1H3
InChIKeyZJKAFRRRGONGDY-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.36
Rot. Bonds3

About 3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole

3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 665532) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID665532
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1nc2ccccc2cc1-c1noc(-c2cccnc2)n1
InChIInChI=1S/C17H12N4O2/c1-22-17-13(9-11-5-2-3-7-14(11)19-17)15-20-16(23-21-15)12-6-4-8-18-10-12/h2-10H,1H3
InChIKeyZJKAFRRRGONGDY-UHFFFAOYSA-N
XLogP3.36
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole (CID 665532) is 3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole is COc1nc2ccccc2cc1-c1noc(-c2cccnc2)n1.
What is the InChIKey of 3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is ZJKAFRRRGONGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c1-22-17-13(9-11-5-2-3-7-14(11)19-17)15-20-16(23-21-15)12-6-4-8-18-10-12/h2-10H,1H3.
What are the key properties of 3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole?
3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 304.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 665532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).