2,3-dimethyl-1H-quinoline-4,5,8-trione

C11H9NO3 — CID 20700988

IUPAC2,3-dimethyl-1H-quinoline-4,5,8-trione
SMILESCc1[nH]c2c(c(=O)c1C)C(=O)C=CC2=O
InChIInChI=1S/C11H9NO3/c1-5-6(2)12-10-8(14)4-3-7(13)9(10)11(5)15/h3-4H,1-2H3,(H,12,15)
InChIKeyCZSWAHVXBUOUNV-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.93
Rot. Bonds

About 2,3-dimethyl-1H-quinoline-4,5,8-trione

2,3-dimethyl-1H-quinoline-4,5,8-trione (PubChem CID 20700988) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2,3-dimethyl-1H-quinoline-4,5,8-trione.

Molecular Properties

Compound Name2,3-dimethyl-1H-quinoline-4,5,8-trione
PubChem CID20700988
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2,3-dimethyl-1H-quinoline-4,5,8-trione
SMILESCc1[nH]c2c(c(=O)c1C)C(=O)C=CC2=O
InChIInChI=1S/C11H9NO3/c1-5-6(2)12-10-8(14)4-3-7(13)9(10)11(5)15/h3-4H,1-2H3,(H,12,15)
InChIKeyCZSWAHVXBUOUNV-UHFFFAOYSA-N
XLogP0.93
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2,3-dimethyl-1H-quinoline-4,5,8-trione 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 2,3-dimethyl-1H-quinoline-4,5,8-trione?
The IUPAC name of 2,3-dimethyl-1H-quinoline-4,5,8-trione (CID 20700988) is 2,3-dimethyl-1H-quinoline-4,5,8-trione.
What is the SMILES notation for 2,3-dimethyl-1H-quinoline-4,5,8-trione?
The canonical SMILES for 2,3-dimethyl-1H-quinoline-4,5,8-trione is Cc1[nH]c2c(c(=O)c1C)C(=O)C=CC2=O.
What is the InChIKey of 2,3-dimethyl-1H-quinoline-4,5,8-trione?
The InChIKey is CZSWAHVXBUOUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-5-6(2)12-10-8(14)4-3-7(13)9(10)11(5)15/h3-4H,1-2H3,(H,12,15).
What are the key properties of 2,3-dimethyl-1H-quinoline-4,5,8-trione?
2,3-dimethyl-1H-quinoline-4,5,8-trione has a molecular weight of 203.20 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1H-quinoline-4,5,8-trione is sourced from PubChem (CID 20700988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).