2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile

C16H15N3O — CID 66371449

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CC3CCC(C2)O3)nc2ccccc12
InChIInChI=1S/C16H15N3O/c17-8-11-7-16(18-15-4-2-1-3-14(11)15)19-9-12-5-6-13(10-19)20-12/h1-4,7,12-13H,5-6,9-10H2
InChIKeyCLNQUPTTZIZLMC-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.47
Rot. Bonds1

About 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile (PubChem CID 66371449) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile
PubChem CID66371449
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CC3CCC(C2)O3)nc2ccccc12
InChIInChI=1S/C16H15N3O/c17-8-11-7-16(18-15-4-2-1-3-14(11)15)19-9-12-5-6-13(10-19)20-12/h1-4,7,12-13H,5-6,9-10H2
InChIKeyCLNQUPTTZIZLMC-UHFFFAOYSA-N
XLogP2.47
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile (CID 66371449) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile is N#Cc1cc(N2CC3CCC(C2)O3)nc2ccccc12.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile?
The InChIKey is CLNQUPTTZIZLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-8-11-7-16(18-15-4-2-1-3-14(11)15)19-9-12-5-6-13(10-19)20-12/h1-4,7,12-13H,5-6,9-10H2.
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile is sourced from PubChem (CID 66371449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).