6-(azetidin-3-yloxy)quinoline;hydrochloride

C12H13ClN2O — CID 86262635

IUPAC6-(azetidin-3-yloxy)quinoline;hydrochloride
SMILESCl.c1cnc2ccc(OC3CNC3)cc2c1
InChIInChI=1S/C12H12N2O.ClH/c1-2-9-6-10(15-11-7-13-8-11)3-4-12(9)14-5-1;/h1-6,11,13H,7-8H2;1H
InChIKeyJHWZUNVLPWGBHS-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.01
Rot. Bonds2

About 6-(azetidin-3-yloxy)quinoline;hydrochloride

6-(azetidin-3-yloxy)quinoline;hydrochloride (PubChem CID 86262635) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 6-(azetidin-3-yloxy)quinoline;hydrochloride.

Molecular Properties

Compound Name6-(azetidin-3-yloxy)quinoline;hydrochloride
PubChem CID86262635
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name6-(azetidin-3-yloxy)quinoline;hydrochloride
SMILESCl.c1cnc2ccc(OC3CNC3)cc2c1
InChIInChI=1S/C12H12N2O.ClH/c1-2-9-6-10(15-11-7-13-8-11)3-4-12(9)14-5-1;/h1-6,11,13H,7-8H2;1H
InChIKeyJHWZUNVLPWGBHS-UHFFFAOYSA-N
XLogP2.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yloxy)quinoline;hydrochloride?
The IUPAC name of 6-(azetidin-3-yloxy)quinoline;hydrochloride (CID 86262635) is 6-(azetidin-3-yloxy)quinoline;hydrochloride.
What is the SMILES notation for 6-(azetidin-3-yloxy)quinoline;hydrochloride?
The canonical SMILES for 6-(azetidin-3-yloxy)quinoline;hydrochloride is Cl.c1cnc2ccc(OC3CNC3)cc2c1.
What is the InChIKey of 6-(azetidin-3-yloxy)quinoline;hydrochloride?
The InChIKey is JHWZUNVLPWGBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.ClH/c1-2-9-6-10(15-11-7-13-8-11)3-4-12(9)14-5-1;/h1-6,11,13H,7-8H2;1H.
What are the key properties of 6-(azetidin-3-yloxy)quinoline;hydrochloride?
6-(azetidin-3-yloxy)quinoline;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-yloxy)quinoline;hydrochloride is sourced from PubChem (CID 86262635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).