2-(8-ethylquinolin-4-yl)oxyacetonitrile

C13H12N2O — CID 54772736

IUPAC2-(8-ethylquinolin-4-yl)oxyacetonitrile
SMILESCCc1cccc2c(OCC#N)ccnc12
InChIInChI=1S/C13H12N2O/c1-2-10-4-3-5-11-12(16-9-7-14)6-8-15-13(10)11/h3-6,8H,2,9H2,1H3
InChIKeyPAVKZQBYPFEWJK-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.70
Rot. Bonds3

About 2-(8-ethylquinolin-4-yl)oxyacetonitrile

2-(8-ethylquinolin-4-yl)oxyacetonitrile (PubChem CID 54772736) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(8-ethylquinolin-4-yl)oxyacetonitrile.

Molecular Properties

Compound Name2-(8-ethylquinolin-4-yl)oxyacetonitrile
PubChem CID54772736
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-(8-ethylquinolin-4-yl)oxyacetonitrile
SMILESCCc1cccc2c(OCC#N)ccnc12
InChIInChI=1S/C13H12N2O/c1-2-10-4-3-5-11-12(16-9-7-14)6-8-15-13(10)11/h3-6,8H,2,9H2,1H3
InChIKeyPAVKZQBYPFEWJK-UHFFFAOYSA-N
XLogP2.70
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-ethylquinolin-4-yl)oxyacetonitrile?
The IUPAC name of 2-(8-ethylquinolin-4-yl)oxyacetonitrile (CID 54772736) is 2-(8-ethylquinolin-4-yl)oxyacetonitrile.
What is the SMILES notation for 2-(8-ethylquinolin-4-yl)oxyacetonitrile?
The canonical SMILES for 2-(8-ethylquinolin-4-yl)oxyacetonitrile is CCc1cccc2c(OCC#N)ccnc12.
What is the InChIKey of 2-(8-ethylquinolin-4-yl)oxyacetonitrile?
The InChIKey is PAVKZQBYPFEWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-2-10-4-3-5-11-12(16-9-7-14)6-8-15-13(10)11/h3-6,8H,2,9H2,1H3.
What are the key properties of 2-(8-ethylquinolin-4-yl)oxyacetonitrile?
2-(8-ethylquinolin-4-yl)oxyacetonitrile has a molecular weight of 212.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethylquinolin-4-yl)oxyacetonitrile is sourced from PubChem (CID 54772736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).