5-(1-azabicyclo[2.2.2]octan-3-yl)-3-quinolin-3-yl-1,2,4-oxadiazole

C18H18N4O — CID 14810884

IUPAC5-(1-azabicyclo[2.2.2]octan-3-yl)-3-quinolin-3-yl-1,2,4-oxadiazole
SMILESc1ccc2ncc(-c3noc(C4CN5CCC4CC5)n3)cc2c1
InChIInChI=1S/C18H18N4O/c1-2-4-16-13(3-1)9-14(10-19-16)17-20-18(23-21-17)15-11-22-7-5-12(15)6-8-22/h1-4,9-10,12,15H,5-8,11H2
InChIKeyXFRZZTCVWZZKHD-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.09
Rot. Bonds2

About 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-quinolin-3-yl-1,2,4-oxadiazole

5-(1-azabicyclo[2.2.2]octan-3-yl)-3-quinolin-3-yl-1,2,4-oxadiazole (PubChem CID 14810884) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-quinolin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-quinolin-3-yl-1,2,4-oxadiazole
PubChem CID14810884
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-quinolin-3-yl-1,2,4-oxadiazole
SMILESc1ccc2ncc(-c3noc(C4CN5CCC4CC5)n3)cc2c1
InChIInChI=1S/C18H18N4O/c1-2-4-16-13(3-1)9-14(10-19-16)17-20-18(23-21-17)15-11-22-7-5-12(15)6-8-22/h1-4,9-10,12,15H,5-8,11H2
InChIKeyXFRZZTCVWZZKHD-UHFFFAOYSA-N
XLogP3.09
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-quinolin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-quinolin-3-yl-1,2,4-oxadiazole (CID 14810884) is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-quinolin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-quinolin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-quinolin-3-yl-1,2,4-oxadiazole is c1ccc2ncc(-c3noc(C4CN5CCC4CC5)n3)cc2c1.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-quinolin-3-yl-1,2,4-oxadiazole?
The InChIKey is XFRZZTCVWZZKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-2-4-16-13(3-1)9-14(10-19-16)17-20-18(23-21-17)15-11-22-7-5-12(15)6-8-22/h1-4,9-10,12,15H,5-8,11H2.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-quinolin-3-yl-1,2,4-oxadiazole?
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-quinolin-3-yl-1,2,4-oxadiazole has a molecular weight of 306.37 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-quinolin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 14810884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).