3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane

C15H20N2O — CID 81214470

IUPAC3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESc1cc2c(c(N3CC4CCC(C3)O4)c1)CCCN2
InChIInChI=1S/C15H20N2O/c1-4-14-13(3-2-8-16-14)15(5-1)17-9-11-6-7-12(10-17)18-11/h1,4-5,11-12,16H,2-3,6-10H2
InChIKeyQJCAZSJKKFCKPI-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.41
Rot. Bonds1

About 3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 81214470) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID81214470
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESc1cc2c(c(N3CC4CCC(C3)O4)c1)CCCN2
InChIInChI=1S/C15H20N2O/c1-4-14-13(3-2-8-16-14)15(5-1)17-9-11-6-7-12(10-17)18-11/h1,4-5,11-12,16H,2-3,6-10H2
InChIKeyQJCAZSJKKFCKPI-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 81214470) is 3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane is c1cc2c(c(N3CC4CCC(C3)O4)c1)CCCN2.
What is the InChIKey of 3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is QJCAZSJKKFCKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-14-13(3-2-8-16-14)15(5-1)17-9-11-6-7-12(10-17)18-11/h1,4-5,11-12,16H,2-3,6-10H2.
What are the key properties of 3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 244.34 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 81214470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).