4-methylquinoline-2,3-dione

C10H7NO2 — CID 134822094

IUPAC4-methylquinoline-2,3-dione
SMILESCC1=c2ccccc2=NC(=O)C1=O
InChIInChI=1S/C10H7NO2/c1-6-7-4-2-3-5-8(7)11-10(13)9(6)12/h2-5H,1H3
InChIKeyKCVGOBAGBAXDQL-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.41
Rot. Bonds

About 4-methylquinoline-2,3-dione

4-methylquinoline-2,3-dione (PubChem CID 134822094) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 4-methylquinoline-2,3-dione.

Molecular Properties

Compound Name4-methylquinoline-2,3-dione
PubChem CID134822094
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name4-methylquinoline-2,3-dione
SMILESCC1=c2ccccc2=NC(=O)C1=O
InChIInChI=1S/C10H7NO2/c1-6-7-4-2-3-5-8(7)11-10(13)9(6)12/h2-5H,1H3
InChIKeyKCVGOBAGBAXDQL-UHFFFAOYSA-N
XLogP-0.41
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 ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylquinoline-2,3-dione?
The IUPAC name of 4-methylquinoline-2,3-dione (CID 134822094) is 4-methylquinoline-2,3-dione.
What is the SMILES notation for 4-methylquinoline-2,3-dione?
The canonical SMILES for 4-methylquinoline-2,3-dione is CC1=c2ccccc2=NC(=O)C1=O.
What is the InChIKey of 4-methylquinoline-2,3-dione?
The InChIKey is KCVGOBAGBAXDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c1-6-7-4-2-3-5-8(7)11-10(13)9(6)12/h2-5H,1H3.
What are the key properties of 4-methylquinoline-2,3-dione?
4-methylquinoline-2,3-dione has a molecular weight of 173.17 g/mol, XLogP of -0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylquinoline-2,3-dione is sourced from PubChem (CID 134822094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).