2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-quinolin-2-yl-1,3,4-oxadiazole

C18H19N5O — CID 21100103

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-quinolin-2-yl-1,3,4-oxadiazole
SMILESc1ccc2nc(-c3nnc(N4CCN5CCC4CC5)o3)ccc2c1
InChIInChI=1S/C18H19N5O/c1-2-4-15-13(3-1)5-6-16(19-15)17-20-21-18(24-17)23-12-11-22-9-7-14(23)8-10-22/h1-6,14H,7-12H2
InChIKeyOVFANAQDIYSCIV-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.57
Rot. Bonds2

About 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-quinolin-2-yl-1,3,4-oxadiazole

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-quinolin-2-yl-1,3,4-oxadiazole (PubChem CID 21100103) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-quinolin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-quinolin-2-yl-1,3,4-oxadiazole
PubChem CID21100103
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-quinolin-2-yl-1,3,4-oxadiazole
SMILESc1ccc2nc(-c3nnc(N4CCN5CCC4CC5)o3)ccc2c1
InChIInChI=1S/C18H19N5O/c1-2-4-15-13(3-1)5-6-16(19-15)17-20-21-18(24-17)23-12-11-22-9-7-14(23)8-10-22/h1-6,14H,7-12H2
InChIKeyOVFANAQDIYSCIV-UHFFFAOYSA-N
XLogP2.57
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-quinolin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-quinolin-2-yl-1,3,4-oxadiazole (CID 21100103) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-quinolin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-quinolin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-quinolin-2-yl-1,3,4-oxadiazole is c1ccc2nc(-c3nnc(N4CCN5CCC4CC5)o3)ccc2c1.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-quinolin-2-yl-1,3,4-oxadiazole?
The InChIKey is OVFANAQDIYSCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-4-15-13(3-1)5-6-16(19-15)17-20-21-18(24-17)23-12-11-22-9-7-14(23)8-10-22/h1-6,14H,7-12H2.
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-quinolin-2-yl-1,3,4-oxadiazole?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-quinolin-2-yl-1,3,4-oxadiazole has a molecular weight of 321.38 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-quinolin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 21100103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).