2-(1-azabicyclo[2.2.2]octan-3-yloxy)quinoline

C16H18N2O — CID 10400087

IUPAC2-(1-azabicyclo[2.2.2]octan-3-yloxy)quinoline
SMILESc1ccc2nc(OC3CN4CCC3CC4)ccc2c1
InChIInChI=1S/C16H18N2O/c1-2-4-14-12(3-1)5-6-16(17-14)19-15-11-18-9-7-13(15)8-10-18/h1-6,13,15H,7-11H2
InChIKeyLRQZHEAZRKGYRO-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.71
Rot. Bonds2

About 2-(1-azabicyclo[2.2.2]octan-3-yloxy)quinoline

2-(1-azabicyclo[2.2.2]octan-3-yloxy)quinoline (PubChem CID 10400087) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-yloxy)quinoline.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-yloxy)quinoline
PubChem CID10400087
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-yloxy)quinoline
SMILESc1ccc2nc(OC3CN4CCC3CC4)ccc2c1
InChIInChI=1S/C16H18N2O/c1-2-4-14-12(3-1)5-6-16(17-14)19-15-11-18-9-7-13(15)8-10-18/h1-6,13,15H,7-11H2
InChIKeyLRQZHEAZRKGYRO-UHFFFAOYSA-N
XLogP2.71
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yloxy)quinoline?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yloxy)quinoline (CID 10400087) is 2-(1-azabicyclo[2.2.2]octan-3-yloxy)quinoline.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-yloxy)quinoline?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-yloxy)quinoline is c1ccc2nc(OC3CN4CCC3CC4)ccc2c1.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-yloxy)quinoline?
The InChIKey is LRQZHEAZRKGYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-4-14-12(3-1)5-6-16(17-14)19-15-11-18-9-7-13(15)8-10-18/h1-6,13,15H,7-11H2.
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-yloxy)quinoline?
2-(1-azabicyclo[2.2.2]octan-3-yloxy)quinoline has a molecular weight of 254.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]octan-3-yloxy)quinoline is sourced from PubChem (CID 10400087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).