4-methyl-3,4-dihydroquinoline-5,8-dione

C10H9NO2 — CID 142044441

IUPAC4-methyl-3,4-dihydroquinoline-5,8-dione
SMILESCC1CC=NC2=C1C(=O)C=CC2=O
InChIInChI=1S/C10H9NO2/c1-6-4-5-11-10-8(13)3-2-7(12)9(6)10/h2-3,5-6H,4H2,1H3
InChIKeyUCFICEAPDMSGDL-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.06
Rot. Bonds

About 4-methyl-3,4-dihydroquinoline-5,8-dione

4-methyl-3,4-dihydroquinoline-5,8-dione (PubChem CID 142044441) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-methyl-3,4-dihydroquinoline-5,8-dione.

Molecular Properties

Compound Name4-methyl-3,4-dihydroquinoline-5,8-dione
PubChem CID142044441
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4-methyl-3,4-dihydroquinoline-5,8-dione
SMILESCC1CC=NC2=C1C(=O)C=CC2=O
InChIInChI=1S/C10H9NO2/c1-6-4-5-11-10-8(13)3-2-7(12)9(6)10/h2-3,5-6H,4H2,1H3
InChIKeyUCFICEAPDMSGDL-UHFFFAOYSA-N
XLogP1.06
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-3,4-dihydroquinoline-5,8-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-methyl-3,4-dihydroquinoline-5,8-dione?
The IUPAC name of 4-methyl-3,4-dihydroquinoline-5,8-dione (CID 142044441) is 4-methyl-3,4-dihydroquinoline-5,8-dione.
What is the SMILES notation for 4-methyl-3,4-dihydroquinoline-5,8-dione?
The canonical SMILES for 4-methyl-3,4-dihydroquinoline-5,8-dione is CC1CC=NC2=C1C(=O)C=CC2=O.
What is the InChIKey of 4-methyl-3,4-dihydroquinoline-5,8-dione?
The InChIKey is UCFICEAPDMSGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-6-4-5-11-10-8(13)3-2-7(12)9(6)10/h2-3,5-6H,4H2,1H3.
What are the key properties of 4-methyl-3,4-dihydroquinoline-5,8-dione?
4-methyl-3,4-dihydroquinoline-5,8-dione has a molecular weight of 175.19 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4-dihydroquinoline-5,8-dione is sourced from PubChem (CID 142044441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).