4-methylquinoline-2,6-dione

C10H7NO2 — CID 78199486

IUPAC4-methylquinoline-2,6-dione
SMILESCC1=CC(=O)N=C2C=CC(=O)C=C12
InChIInChI=1S/C10H7NO2/c1-6-4-10(13)11-9-3-2-7(12)5-8(6)9/h2-5H,1H3
InChIKeyHRKCOXCUXAYPIF-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.98
Rot. Bonds

About 4-methylquinoline-2,6-dione

4-methylquinoline-2,6-dione (PubChem CID 78199486) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 4-methylquinoline-2,6-dione.

Molecular Properties

Compound Name4-methylquinoline-2,6-dione
PubChem CID78199486
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name4-methylquinoline-2,6-dione
SMILESCC1=CC(=O)N=C2C=CC(=O)C=C12
InChIInChI=1S/C10H7NO2/c1-6-4-10(13)11-9-3-2-7(12)5-8(6)9/h2-5H,1H3
InChIKeyHRKCOXCUXAYPIF-UHFFFAOYSA-N
XLogP0.98
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

Analyze 4-methylquinoline-2,6-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-methylquinoline-2,6-dione?
The IUPAC name of 4-methylquinoline-2,6-dione (CID 78199486) is 4-methylquinoline-2,6-dione.
What is the SMILES notation for 4-methylquinoline-2,6-dione?
The canonical SMILES for 4-methylquinoline-2,6-dione is CC1=CC(=O)N=C2C=CC(=O)C=C12.
What is the InChIKey of 4-methylquinoline-2,6-dione?
The InChIKey is HRKCOXCUXAYPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c1-6-4-10(13)11-9-3-2-7(12)5-8(6)9/h2-5H,1H3.
What are the key properties of 4-methylquinoline-2,6-dione?
4-methylquinoline-2,6-dione has a molecular weight of 173.17 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylquinoline-2,6-dione is sourced from PubChem (CID 78199486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).