8-methyl-2H-quinoline-8-carbonitrile

C11H10N2 — CID 69112819

IUPAC8-methyl-2H-quinoline-8-carbonitrile
SMILESCC1(C#N)C=CC=C2C=CCN=C21
InChIInChI=1S/C11H10N2/c1-11(8-12)6-2-4-9-5-3-7-13-10(9)11/h2-6H,7H2,1H3
InChIKeyVUDXPDCUWKALDN-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.02
Rot. Bonds

About 8-methyl-2H-quinoline-8-carbonitrile

8-methyl-2H-quinoline-8-carbonitrile (PubChem CID 69112819) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 8-methyl-2H-quinoline-8-carbonitrile.

Molecular Properties

Compound Name8-methyl-2H-quinoline-8-carbonitrile
PubChem CID69112819
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name8-methyl-2H-quinoline-8-carbonitrile
SMILESCC1(C#N)C=CC=C2C=CCN=C21
InChIInChI=1S/C11H10N2/c1-11(8-12)6-2-4-9-5-3-7-13-10(9)11/h2-6H,7H2,1H3
InChIKeyVUDXPDCUWKALDN-UHFFFAOYSA-N
XLogP2.02
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-methyl-2H-quinoline-8-carbonitrile 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 8-methyl-2H-quinoline-8-carbonitrile?
The IUPAC name of 8-methyl-2H-quinoline-8-carbonitrile (CID 69112819) is 8-methyl-2H-quinoline-8-carbonitrile.
What is the SMILES notation for 8-methyl-2H-quinoline-8-carbonitrile?
The canonical SMILES for 8-methyl-2H-quinoline-8-carbonitrile is CC1(C#N)C=CC=C2C=CCN=C21.
What is the InChIKey of 8-methyl-2H-quinoline-8-carbonitrile?
The InChIKey is VUDXPDCUWKALDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-11(8-12)6-2-4-9-5-3-7-13-10(9)11/h2-6H,7H2,1H3.
What are the key properties of 8-methyl-2H-quinoline-8-carbonitrile?
8-methyl-2H-quinoline-8-carbonitrile has a molecular weight of 170.21 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2H-quinoline-8-carbonitrile is sourced from PubChem (CID 69112819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).