4-methyl-2-oxo-3H-quinoline-3-carbonitrile

C11H8N2O — CID 76848346

IUPAC4-methyl-2-oxo-3H-quinoline-3-carbonitrile
SMILESCC1=c2ccccc2=NC(=O)C1C#N
InChIInChI=1S/C11H8N2O/c1-7-8-4-2-3-5-10(8)13-11(14)9(7)6-12/h2-5,9H,1H3
InChIKeySULKDBQFCSGHSY-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.16
Rot. Bonds

About 4-methyl-2-oxo-3H-quinoline-3-carbonitrile

4-methyl-2-oxo-3H-quinoline-3-carbonitrile (PubChem CID 76848346) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-methyl-2-oxo-3H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-oxo-3H-quinoline-3-carbonitrile
PubChem CID76848346
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name4-methyl-2-oxo-3H-quinoline-3-carbonitrile
SMILESCC1=c2ccccc2=NC(=O)C1C#N
InChIInChI=1S/C11H8N2O/c1-7-8-4-2-3-5-10(8)13-11(14)9(7)6-12/h2-5,9H,1H3
InChIKeySULKDBQFCSGHSY-UHFFFAOYSA-N
XLogP0.16
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-oxo-3H-quinoline-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4,6-Dimethyl-2-oxo-2,3-dihydropyridine-3-carbonitrile
CID 15421486
3-fluoro-4-methylquinolin-2(3H)-one
CID 71650944
(3R)-3-fluoro-4-methyl-3H-quinolin-2-one
CID 97032449
(3S)-3-fluoro-4-methyl-3H-quinolin-2-one
CID 97032450
6aH-phenanthridin-6-one
CID 22100319
3-propyl-8aH-isoquinolin-1-one
CID 57240393
2-methyl-4aH-quinazolin-4-one
CID 57310190
3-ethyl-6,7-dimethyl-3H-quinolin-2-one
CID 73739984
2-ethyl-4aH-quinazolin-4-one
CID 77520332
4-oxo-4aH-quinazoline-2-carbonitrile
CID 86052507
4-chloro-6-methyl-2-oxo-3H-quinoline-3-carbonitrile
CID 90959534
ethane;3-methyl-3H-quinolin-2-one
CID 91141532

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-3H-quinoline-3-carbonitrile?
The IUPAC name of 4-methyl-2-oxo-3H-quinoline-3-carbonitrile (CID 76848346) is 4-methyl-2-oxo-3H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-oxo-3H-quinoline-3-carbonitrile?
The canonical SMILES for 4-methyl-2-oxo-3H-quinoline-3-carbonitrile is CC1=c2ccccc2=NC(=O)C1C#N.
What is the InChIKey of 4-methyl-2-oxo-3H-quinoline-3-carbonitrile?
The InChIKey is SULKDBQFCSGHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-7-8-4-2-3-5-10(8)13-11(14)9(7)6-12/h2-5,9H,1H3.
What are the key properties of 4-methyl-2-oxo-3H-quinoline-3-carbonitrile?
4-methyl-2-oxo-3H-quinoline-3-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-3H-quinoline-3-carbonitrile is sourced from PubChem (CID 76848346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).