6-(azetidin-3-yl)quinoxaline;hydrochloride

C11H12ClN3 — CID 154791366

IUPAC6-(azetidin-3-yl)quinoxaline;hydrochloride
SMILESCl.c1cnc2cc(C3CNC3)ccc2n1
InChIInChI=1S/C11H11N3.ClH/c1-2-10-11(14-4-3-13-10)5-8(1)9-6-12-7-9;/h1-5,9,12H,6-7H2;1H
InChIKeyMSHALLPVYOSGJF-UHFFFAOYSA-N
MW221.69 g/mol
LogP1.74
Rot. Bonds1

About 6-(azetidin-3-yl)quinoxaline;hydrochloride

6-(azetidin-3-yl)quinoxaline;hydrochloride (PubChem CID 154791366) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 6-(azetidin-3-yl)quinoxaline;hydrochloride.

Molecular Properties

Compound Name6-(azetidin-3-yl)quinoxaline;hydrochloride
PubChem CID154791366
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name6-(azetidin-3-yl)quinoxaline;hydrochloride
SMILESCl.c1cnc2cc(C3CNC3)ccc2n1
InChIInChI=1S/C11H11N3.ClH/c1-2-10-11(14-4-3-13-10)5-8(1)9-6-12-7-9;/h1-5,9,12H,6-7H2;1H
InChIKeyMSHALLPVYOSGJF-UHFFFAOYSA-N
XLogP1.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yl)quinoxaline;hydrochloride?
The IUPAC name of 6-(azetidin-3-yl)quinoxaline;hydrochloride (CID 154791366) is 6-(azetidin-3-yl)quinoxaline;hydrochloride.
What is the SMILES notation for 6-(azetidin-3-yl)quinoxaline;hydrochloride?
The canonical SMILES for 6-(azetidin-3-yl)quinoxaline;hydrochloride is Cl.c1cnc2cc(C3CNC3)ccc2n1.
What is the InChIKey of 6-(azetidin-3-yl)quinoxaline;hydrochloride?
The InChIKey is MSHALLPVYOSGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3.ClH/c1-2-10-11(14-4-3-13-10)5-8(1)9-6-12-7-9;/h1-5,9,12H,6-7H2;1H.
What are the key properties of 6-(azetidin-3-yl)quinoxaline;hydrochloride?
6-(azetidin-3-yl)quinoxaline;hydrochloride has a molecular weight of 221.69 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-yl)quinoxaline;hydrochloride is sourced from PubChem (CID 154791366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).