3,4-dimethyl-1H-quinoline-2,5,8-trione

C11H9NO3 — CID 15370078

IUPAC3,4-dimethyl-1H-quinoline-2,5,8-trione
SMILESCc1c2c([nH]c(=O)c1C)C(=O)C=CC2=O
InChIInChI=1S/C11H9NO3/c1-5-6(2)11(15)12-10-8(14)4-3-7(13)9(5)10/h3-4H,1-2H3,(H,12,15)
InChIKeyJEQZAXVKXAIIAQ-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.93
Rot. Bonds

About 3,4-dimethyl-1H-quinoline-2,5,8-trione

3,4-dimethyl-1H-quinoline-2,5,8-trione (PubChem CID 15370078) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3,4-dimethyl-1H-quinoline-2,5,8-trione.

Molecular Properties

Compound Name3,4-dimethyl-1H-quinoline-2,5,8-trione
PubChem CID15370078
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name3,4-dimethyl-1H-quinoline-2,5,8-trione
SMILESCc1c2c([nH]c(=O)c1C)C(=O)C=CC2=O
InChIInChI=1S/C11H9NO3/c1-5-6(2)11(15)12-10-8(14)4-3-7(13)9(5)10/h3-4H,1-2H3,(H,12,15)
InChIKeyJEQZAXVKXAIIAQ-UHFFFAOYSA-N
XLogP0.93
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-7,8-dihydro-5(6H)-quinolinone
CID 267450
2,5,8(1H)-Quinolinetrione
CID 267592
Quinone, 12
CID 14929519
5-acetyl-6-methyl-2(1H)-pyridinone
CID 4421736
6-Dimethylamino-1h-quinoline-2,5,8-trione
CID 14357756
4-methyl-1H-quinoline-2,5,8-trione
CID 10921303
6-Ethyl-5-propanoylpyridin-2(1H)-one
CID 13236508
Quinoline-2,7-dione
CID 129750799
2,5,6(1H)-Quinolinetrione
CID 129782960
5-acetyl-4,6-dimethyl-1H-pyridin-2-one
CID 304683
3-ethyl-1H-quinoline-2,5,8-trione
CID 10856574
2,2-dimethyl-N-(2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propanamide
CID 24754582

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1H-quinoline-2,5,8-trione?
The IUPAC name of 3,4-dimethyl-1H-quinoline-2,5,8-trione (CID 15370078) is 3,4-dimethyl-1H-quinoline-2,5,8-trione.
What is the SMILES notation for 3,4-dimethyl-1H-quinoline-2,5,8-trione?
The canonical SMILES for 3,4-dimethyl-1H-quinoline-2,5,8-trione is Cc1c2c([nH]c(=O)c1C)C(=O)C=CC2=O.
What is the InChIKey of 3,4-dimethyl-1H-quinoline-2,5,8-trione?
The InChIKey is JEQZAXVKXAIIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-5-6(2)11(15)12-10-8(14)4-3-7(13)9(5)10/h3-4H,1-2H3,(H,12,15).
What are the key properties of 3,4-dimethyl-1H-quinoline-2,5,8-trione?
3,4-dimethyl-1H-quinoline-2,5,8-trione has a molecular weight of 203.20 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1H-quinoline-2,5,8-trione is sourced from PubChem (CID 15370078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).