2-(2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetamide

C12H12N2O3 — CID 10376622

IUPAC2-(2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetamide
SMILESCN1C(=O)c2ccccc2C(CC(N)=O)C1=O
InChIInChI=1S/C12H12N2O3/c1-14-11(16)8-5-3-2-4-7(8)9(12(14)17)6-10(13)15/h2-5,9H,6H2,1H3,(H2,13,15)
InChIKeyDLJMOAMEQDXHHB-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.26
Rot. Bonds2

About 2-(2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetamide

2-(2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetamide (PubChem CID 10376622) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetamide
PubChem CID10376622
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-(2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetamide
SMILESCN1C(=O)c2ccccc2C(CC(N)=O)C1=O
InChIInChI=1S/C12H12N2O3/c1-14-11(16)8-5-3-2-4-7(8)9(12(14)17)6-10(13)15/h2-5,9H,6H2,1H3,(H2,13,15)
InChIKeyDLJMOAMEQDXHHB-UHFFFAOYSA-N
XLogP0.26
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetamide 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

Isoquinoline-1,3,4-trione
CID 10640
1,3(2H,4H)-isoquinolinedione
CID 349435
3,4-dihydroisoquinolin-1(2H)-one
CID 150896
3,4-dihydro-5-methyl-1(2H)-isoquinolinone
CID 148140
2-methylisoquinoline-1,3,4(2H)-trione
CID 1714901
N,N,N',N'-Tetraethylphthalamide
CID 66526
3-Methyl-3,4-dihydroisoquinolin-1(2H)-one
CID 2826771
2-Benzylisoquinoline-1,3,4-trione
CID 11357566
2-(3-Dimethylamino-propyl)-benzo[de]isoquinoline-1,3-dione
CID 2834616
2-Methyl-1,2,3,4-tetrahydrophthalazine-1,4-dione
CID 314939
1,3,4(2H)-Isoquinolinetrione, 2-(2-propenyl)-
CID 11629882
2-Phenethylisoquinoline-1,3,4-trione
CID 11652039

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetamide?
The IUPAC name of 2-(2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetamide (CID 10376622) is 2-(2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetamide?
The canonical SMILES for 2-(2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetamide is CN1C(=O)c2ccccc2C(CC(N)=O)C1=O.
What is the InChIKey of 2-(2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetamide?
The InChIKey is DLJMOAMEQDXHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-14-11(16)8-5-3-2-4-7(8)9(12(14)17)6-10(13)15/h2-5,9H,6H2,1H3,(H2,13,15).
What are the key properties of 2-(2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetamide?
2-(2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetamide has a molecular weight of 232.24 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetamide is sourced from PubChem (CID 10376622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).