1-methylquinoline-2,4-dione

C10H9NO2 — CID 4102778

IUPAC1-methylquinoline-2,4-dione
SMILESCN1C(=O)CC(=O)c2ccccc21
InChIInChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-5H,6H2,1H3
InChIKeyCLYBXZIOLFPNSX-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.24
Rot. Bonds

About 1-methylquinoline-2,4-dione

1-methylquinoline-2,4-dione (PubChem CID 4102778) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-methylquinoline-2,4-dione.

Molecular Properties

Compound Name1-methylquinoline-2,4-dione
PubChem CID4102778
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1-methylquinoline-2,4-dione
SMILESCN1C(=O)CC(=O)c2ccccc21
InChIInChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-5H,6H2,1H3
InChIKeyCLYBXZIOLFPNSX-UHFFFAOYSA-N
XLogP1.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-methylquinoline-2,4-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 1-methylquinoline-2,4-dione?
The IUPAC name of 1-methylquinoline-2,4-dione (CID 4102778) is 1-methylquinoline-2,4-dione.
What is the SMILES notation for 1-methylquinoline-2,4-dione?
The canonical SMILES for 1-methylquinoline-2,4-dione is CN1C(=O)CC(=O)c2ccccc21.
What is the InChIKey of 1-methylquinoline-2,4-dione?
The InChIKey is CLYBXZIOLFPNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-5H,6H2,1H3.
What are the key properties of 1-methylquinoline-2,4-dione?
1-methylquinoline-2,4-dione has a molecular weight of 175.19 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylquinoline-2,4-dione is sourced from PubChem (CID 4102778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).