2-(3-methylquinolin-2-yl)acetonitrile

C12H10N2 — CID 55167268

IUPAC2-(3-methylquinolin-2-yl)acetonitrile
SMILESCc1cc2ccccc2nc1CC#N
InChIInChI=1S/C12H10N2/c1-9-8-10-4-2-3-5-12(10)14-11(9)6-7-13/h2-5,8H,6H2,1H3
InChIKeyJEWSHPHJEJXQFR-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.61
Rot. Bonds1

About 2-(3-methylquinolin-2-yl)acetonitrile

2-(3-methylquinolin-2-yl)acetonitrile (PubChem CID 55167268) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(3-methylquinolin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-methylquinolin-2-yl)acetonitrile
PubChem CID55167268
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name2-(3-methylquinolin-2-yl)acetonitrile
SMILESCc1cc2ccccc2nc1CC#N
InChIInChI=1S/C12H10N2/c1-9-8-10-4-2-3-5-12(10)14-11(9)6-7-13/h2-5,8H,6H2,1H3
InChIKeyJEWSHPHJEJXQFR-UHFFFAOYSA-N
XLogP2.61
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinolin-2-yl)acetonitrile?
The IUPAC name of 2-(3-methylquinolin-2-yl)acetonitrile (CID 55167268) is 2-(3-methylquinolin-2-yl)acetonitrile.
What is the SMILES notation for 2-(3-methylquinolin-2-yl)acetonitrile?
The canonical SMILES for 2-(3-methylquinolin-2-yl)acetonitrile is Cc1cc2ccccc2nc1CC#N.
What is the InChIKey of 2-(3-methylquinolin-2-yl)acetonitrile?
The InChIKey is JEWSHPHJEJXQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-9-8-10-4-2-3-5-12(10)14-11(9)6-7-13/h2-5,8H,6H2,1H3.
What are the key properties of 2-(3-methylquinolin-2-yl)acetonitrile?
2-(3-methylquinolin-2-yl)acetonitrile has a molecular weight of 182.23 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinolin-2-yl)acetonitrile is sourced from PubChem (CID 55167268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).