2-(8-methyl-4-oxoquinolin-1-yl)acetonitrile

C12H10N2O — CID 43839865

IUPAC2-(8-methyl-4-oxoquinolin-1-yl)acetonitrile
SMILESCc1cccc2c(=O)ccn(CC#N)c12
InChIInChI=1S/C12H10N2O/c1-9-3-2-4-10-11(15)5-7-14(8-6-13)12(9)10/h2-5,7H,8H2,1H3
InChIKeyXMSNBWHYFYWSLF-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.83
Rot. Bonds1

About 2-(8-methyl-4-oxoquinolin-1-yl)acetonitrile

2-(8-methyl-4-oxoquinolin-1-yl)acetonitrile (PubChem CID 43839865) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(8-methyl-4-oxoquinolin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(8-methyl-4-oxoquinolin-1-yl)acetonitrile
PubChem CID43839865
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name2-(8-methyl-4-oxoquinolin-1-yl)acetonitrile
SMILESCc1cccc2c(=O)ccn(CC#N)c12
InChIInChI=1S/C12H10N2O/c1-9-3-2-4-10-11(15)5-7-14(8-6-13)12(9)10/h2-5,7H,8H2,1H3
InChIKeyXMSNBWHYFYWSLF-UHFFFAOYSA-N
XLogP1.83
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(8-methyl-4-oxoquinolin-1-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxoquinolin-1-yl)acetonitrile?
The IUPAC name of 2-(8-methyl-4-oxoquinolin-1-yl)acetonitrile (CID 43839865) is 2-(8-methyl-4-oxoquinolin-1-yl)acetonitrile.
What is the SMILES notation for 2-(8-methyl-4-oxoquinolin-1-yl)acetonitrile?
The canonical SMILES for 2-(8-methyl-4-oxoquinolin-1-yl)acetonitrile is Cc1cccc2c(=O)ccn(CC#N)c12.
What is the InChIKey of 2-(8-methyl-4-oxoquinolin-1-yl)acetonitrile?
The InChIKey is XMSNBWHYFYWSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-9-3-2-4-10-11(15)5-7-14(8-6-13)12(9)10/h2-5,7H,8H2,1H3.
What are the key properties of 2-(8-methyl-4-oxoquinolin-1-yl)acetonitrile?
2-(8-methyl-4-oxoquinolin-1-yl)acetonitrile has a molecular weight of 198.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxoquinolin-1-yl)acetonitrile is sourced from PubChem (CID 43839865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).