2-(azetidin-3-yl)quinoline;dihydrochloride

C12H14Cl2N2 — CID 71302282

IUPAC2-(azetidin-3-yl)quinoline;dihydrochloride
SMILESCl.Cl.c1ccc2nc(C3CNC3)ccc2c1
InChIInChI=1S/C12H12N2.2ClH/c1-2-4-11-9(3-1)5-6-12(14-11)10-7-13-8-10;;/h1-6,10,13H,7-8H2;2*1H
InChIKeyKTRJVZSWODVJDK-UHFFFAOYSA-N
MW257.16 g/mol
LogP2.77
Rot. Bonds1

About 2-(azetidin-3-yl)quinoline;dihydrochloride

2-(azetidin-3-yl)quinoline;dihydrochloride (PubChem CID 71302282) has the molecular formula C12H14Cl2N2 and a molecular weight of 257.16 g/mol. Its IUPAC name is 2-(azetidin-3-yl)quinoline;dihydrochloride.

Molecular Properties

Compound Name2-(azetidin-3-yl)quinoline;dihydrochloride
PubChem CID71302282
Molecular FormulaC12H14Cl2N2
Molecular Weight257.16 g/mol
Exact Mass256.05
IUPAC Name2-(azetidin-3-yl)quinoline;dihydrochloride
SMILESCl.Cl.c1ccc2nc(C3CNC3)ccc2c1
InChIInChI=1S/C12H12N2.2ClH/c1-2-4-11-9(3-1)5-6-12(14-11)10-7-13-8-10;;/h1-6,10,13H,7-8H2;2*1H
InChIKeyKTRJVZSWODVJDK-UHFFFAOYSA-N
XLogP2.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)quinoline;dihydrochloride?
The IUPAC name of 2-(azetidin-3-yl)quinoline;dihydrochloride (CID 71302282) is 2-(azetidin-3-yl)quinoline;dihydrochloride.
What is the SMILES notation for 2-(azetidin-3-yl)quinoline;dihydrochloride?
The canonical SMILES for 2-(azetidin-3-yl)quinoline;dihydrochloride is Cl.Cl.c1ccc2nc(C3CNC3)ccc2c1.
What is the InChIKey of 2-(azetidin-3-yl)quinoline;dihydrochloride?
The InChIKey is KTRJVZSWODVJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.2ClH/c1-2-4-11-9(3-1)5-6-12(14-11)10-7-13-8-10;;/h1-6,10,13H,7-8H2;2*1H.
What are the key properties of 2-(azetidin-3-yl)quinoline;dihydrochloride?
2-(azetidin-3-yl)quinoline;dihydrochloride has a molecular weight of 257.16 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)quinoline;dihydrochloride is sourced from PubChem (CID 71302282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).