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

C12H10N2O — CID 71319986

IUPAC2-(4-methylquinolin-8-yl)oxyacetonitrile
SMILESCc1ccnc2c(OCC#N)cccc12
InChIInChI=1S/C12H10N2O/c1-9-5-7-14-12-10(9)3-2-4-11(12)15-8-6-13/h2-5,7H,8H2,1H3
InChIKeyIXAIBYHIYVTZJU-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.45
Rot. Bonds2

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

2-(4-methylquinolin-8-yl)oxyacetonitrile (PubChem CID 71319986) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(4-methylquinolin-8-yl)oxyacetonitrile.

Molecular Properties

Compound Name2-(4-methylquinolin-8-yl)oxyacetonitrile
PubChem CID71319986
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name2-(4-methylquinolin-8-yl)oxyacetonitrile
SMILESCc1ccnc2c(OCC#N)cccc12
InChIInChI=1S/C12H10N2O/c1-9-5-7-14-12-10(9)3-2-4-11(12)15-8-6-13/h2-5,7H,8H2,1H3
InChIKeyIXAIBYHIYVTZJU-UHFFFAOYSA-N
XLogP2.45
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylquinolin-8-yl)oxyacetonitrile?
The IUPAC name of 2-(4-methylquinolin-8-yl)oxyacetonitrile (CID 71319986) is 2-(4-methylquinolin-8-yl)oxyacetonitrile.
What is the SMILES notation for 2-(4-methylquinolin-8-yl)oxyacetonitrile?
The canonical SMILES for 2-(4-methylquinolin-8-yl)oxyacetonitrile is Cc1ccnc2c(OCC#N)cccc12.
What is the InChIKey of 2-(4-methylquinolin-8-yl)oxyacetonitrile?
The InChIKey is IXAIBYHIYVTZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-9-5-7-14-12-10(9)3-2-4-11(12)15-8-6-13/h2-5,7H,8H2,1H3.
What are the key properties of 2-(4-methylquinolin-8-yl)oxyacetonitrile?
2-(4-methylquinolin-8-yl)oxyacetonitrile has a molecular weight of 198.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylquinolin-8-yl)oxyacetonitrile is sourced from PubChem (CID 71319986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).