4-hydroxy-1-methyl-4H-quinoline-2,3-dione

C10H9NO3 — CID 90463059

IUPAC4-hydroxy-1-methyl-4H-quinoline-2,3-dione
SMILESCN1C(=O)C(=O)C(O)c2ccccc21
InChIInChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)8(12)9(13)10(11)14/h2-5,8,12H,1H3
InChIKeyJPNUPRALXPMAQC-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.27
Rot. Bonds

About 4-hydroxy-1-methyl-4H-quinoline-2,3-dione

4-hydroxy-1-methyl-4H-quinoline-2,3-dione (PubChem CID 90463059) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-4H-quinoline-2,3-dione.

Molecular Properties

Compound Name4-hydroxy-1-methyl-4H-quinoline-2,3-dione
PubChem CID90463059
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name4-hydroxy-1-methyl-4H-quinoline-2,3-dione
SMILESCN1C(=O)C(=O)C(O)c2ccccc21
InChIInChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)8(12)9(13)10(11)14/h2-5,8,12H,1H3
InChIKeyJPNUPRALXPMAQC-UHFFFAOYSA-N
XLogP0.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hydroxy-1-methyl-4H-quinoline-2,3-dione 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 4-hydroxy-1-methyl-4H-quinoline-2,3-dione?
The IUPAC name of 4-hydroxy-1-methyl-4H-quinoline-2,3-dione (CID 90463059) is 4-hydroxy-1-methyl-4H-quinoline-2,3-dione.
What is the SMILES notation for 4-hydroxy-1-methyl-4H-quinoline-2,3-dione?
The canonical SMILES for 4-hydroxy-1-methyl-4H-quinoline-2,3-dione is CN1C(=O)C(=O)C(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-methyl-4H-quinoline-2,3-dione?
The InChIKey is JPNUPRALXPMAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)8(12)9(13)10(11)14/h2-5,8,12H,1H3.
What are the key properties of 4-hydroxy-1-methyl-4H-quinoline-2,3-dione?
4-hydroxy-1-methyl-4H-quinoline-2,3-dione has a molecular weight of 191.19 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-4H-quinoline-2,3-dione is sourced from PubChem (CID 90463059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).