3-(2,4-dimethylquinolin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane

C17H20N2O — CID 157044155

IUPAC3-(2,4-dimethylquinolin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCc1cc(C)c2cc(N3CC4CCC(C3)O4)ccc2n1
InChIInChI=1S/C17H20N2O/c1-11-7-12(2)18-17-6-3-13(8-16(11)17)19-9-14-4-5-15(10-19)20-14/h3,6-8,14-15H,4-5,9-10H2,1-2H3
InChIKeySZMFROVPDWPACZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.22
Rot. Bonds1

About 3-(2,4-dimethylquinolin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(2,4-dimethylquinolin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 157044155) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(2,4-dimethylquinolin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2,4-dimethylquinolin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID157044155
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(2,4-dimethylquinolin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCc1cc(C)c2cc(N3CC4CCC(C3)O4)ccc2n1
InChIInChI=1S/C17H20N2O/c1-11-7-12(2)18-17-6-3-13(8-16(11)17)19-9-14-4-5-15(10-19)20-14/h3,6-8,14-15H,4-5,9-10H2,1-2H3
InChIKeySZMFROVPDWPACZ-UHFFFAOYSA-N
XLogP3.22
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylquinolin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2,4-dimethylquinolin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 157044155) is 3-(2,4-dimethylquinolin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2,4-dimethylquinolin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2,4-dimethylquinolin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane is Cc1cc(C)c2cc(N3CC4CCC(C3)O4)ccc2n1.
What is the InChIKey of 3-(2,4-dimethylquinolin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is SZMFROVPDWPACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-7-12(2)18-17-6-3-13(8-16(11)17)19-9-14-4-5-15(10-19)20-14/h3,6-8,14-15H,4-5,9-10H2,1-2H3.
What are the key properties of 3-(2,4-dimethylquinolin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(2,4-dimethylquinolin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 268.36 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylquinolin-6-yl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 157044155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).