8-(azetidin-3-yloxy)-2-methylquinoline;dihydrochloride

C13H16Cl2N2O — CID 86263246

IUPAC8-(azetidin-3-yloxy)-2-methylquinoline;dihydrochloride
SMILESCc1ccc2cccc(OC3CNC3)c2n1.Cl.Cl
InChIInChI=1S/C13H14N2O.2ClH/c1-9-5-6-10-3-2-4-12(13(10)15-9)16-11-7-14-8-11;;/h2-6,11,14H,7-8H2,1H3;2*1H
InChIKeyDZAHAMROWPEBOJ-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.74
Rot. Bonds2

About 8-(azetidin-3-yloxy)-2-methylquinoline;dihydrochloride

8-(azetidin-3-yloxy)-2-methylquinoline;dihydrochloride (PubChem CID 86263246) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 8-(azetidin-3-yloxy)-2-methylquinoline;dihydrochloride.

Molecular Properties

Compound Name8-(azetidin-3-yloxy)-2-methylquinoline;dihydrochloride
PubChem CID86263246
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name8-(azetidin-3-yloxy)-2-methylquinoline;dihydrochloride
SMILESCc1ccc2cccc(OC3CNC3)c2n1.Cl.Cl
InChIInChI=1S/C13H14N2O.2ClH/c1-9-5-6-10-3-2-4-12(13(10)15-9)16-11-7-14-8-11;;/h2-6,11,14H,7-8H2,1H3;2*1H
InChIKeyDZAHAMROWPEBOJ-UHFFFAOYSA-N
XLogP2.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(azetidin-3-yloxy)-2-methylquinoline;dihydrochloride?
The IUPAC name of 8-(azetidin-3-yloxy)-2-methylquinoline;dihydrochloride (CID 86263246) is 8-(azetidin-3-yloxy)-2-methylquinoline;dihydrochloride.
What is the SMILES notation for 8-(azetidin-3-yloxy)-2-methylquinoline;dihydrochloride?
The canonical SMILES for 8-(azetidin-3-yloxy)-2-methylquinoline;dihydrochloride is Cc1ccc2cccc(OC3CNC3)c2n1.Cl.Cl.
What is the InChIKey of 8-(azetidin-3-yloxy)-2-methylquinoline;dihydrochloride?
The InChIKey is DZAHAMROWPEBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.2ClH/c1-9-5-6-10-3-2-4-12(13(10)15-9)16-11-7-14-8-11;;/h2-6,11,14H,7-8H2,1H3;2*1H.
What are the key properties of 8-(azetidin-3-yloxy)-2-methylquinoline;dihydrochloride?
8-(azetidin-3-yloxy)-2-methylquinoline;dihydrochloride has a molecular weight of 287.19 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(azetidin-3-yloxy)-2-methylquinoline;dihydrochloride is sourced from PubChem (CID 86263246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).