4-ethyl-1H-quinoline-2,5,8-trione

C11H9NO3 — CID 15370079

IUPAC4-ethyl-1H-quinoline-2,5,8-trione
SMILESCCc1cc(=O)[nH]c2c1C(=O)C=CC2=O
InChIInChI=1S/C11H9NO3/c1-2-6-5-9(15)12-11-8(14)4-3-7(13)10(6)11/h3-5H,2H2,1H3,(H,12,15)
InChIKeyMEQYAOAAUTWGNG-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.87
Rot. Bonds1

About 4-ethyl-1H-quinoline-2,5,8-trione

4-ethyl-1H-quinoline-2,5,8-trione (PubChem CID 15370079) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-ethyl-1H-quinoline-2,5,8-trione.

Molecular Properties

Compound Name4-ethyl-1H-quinoline-2,5,8-trione
PubChem CID15370079
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name4-ethyl-1H-quinoline-2,5,8-trione
SMILESCCc1cc(=O)[nH]c2c1C(=O)C=CC2=O
InChIInChI=1S/C11H9NO3/c1-2-6-5-9(15)12-11-8(14)4-3-7(13)10(6)11/h3-5H,2H2,1H3,(H,12,15)
InChIKeyMEQYAOAAUTWGNG-UHFFFAOYSA-N
XLogP0.87
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.87
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
4-methyl-1H-quinoline-2,5,8-trione
CID 10921303
6-Ethyl-5-propanoylpyridin-2(1H)-one
CID 13236508
4-Methylidene-1,5-dihydroindole-2,3-dione
CID 70398209
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
4-methyl-1H-quinoline-2,5,6-trione
CID 24203341
Shlvrcrdrxunhz-uhfffaoysa-
CID 11831264

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1H-quinoline-2,5,8-trione?
The IUPAC name of 4-ethyl-1H-quinoline-2,5,8-trione (CID 15370079) is 4-ethyl-1H-quinoline-2,5,8-trione.
What is the SMILES notation for 4-ethyl-1H-quinoline-2,5,8-trione?
The canonical SMILES for 4-ethyl-1H-quinoline-2,5,8-trione is CCc1cc(=O)[nH]c2c1C(=O)C=CC2=O.
What is the InChIKey of 4-ethyl-1H-quinoline-2,5,8-trione?
The InChIKey is MEQYAOAAUTWGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-2-6-5-9(15)12-11-8(14)4-3-7(13)10(6)11/h3-5H,2H2,1H3,(H,12,15).
What are the key properties of 4-ethyl-1H-quinoline-2,5,8-trione?
4-ethyl-1H-quinoline-2,5,8-trione has a molecular weight of 203.20 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1H-quinoline-2,5,8-trione is sourced from PubChem (CID 15370079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).