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

C11H9NO3 — CID 10856574

IUPAC3-ethyl-1H-quinoline-2,5,8-trione
SMILESCCc1cc2c([nH]c1=O)C(=O)C=CC2=O
InChIInChI=1S/C11H9NO3/c1-2-6-5-7-8(13)3-4-9(14)10(7)12-11(6)15/h3-5H,2H2,1H3,(H,12,15)
InChIKeyZLKDKCWTGMUFTF-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.87
Rot. Bonds1

About 3-ethyl-1H-quinoline-2,5,8-trione

3-ethyl-1H-quinoline-2,5,8-trione (PubChem CID 10856574) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-ethyl-1H-quinoline-2,5,8-trione.

Molecular Properties

Compound Name3-ethyl-1H-quinoline-2,5,8-trione
PubChem CID10856574
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name3-ethyl-1H-quinoline-2,5,8-trione
SMILESCCc1cc2c([nH]c1=O)C(=O)C=CC2=O
InChIInChI=1S/C11H9NO3/c1-2-6-5-7-8(13)3-4-9(14)10(7)12-11(6)15/h3-5H,2H2,1H3,(H,12,15)
InChIKeyZLKDKCWTGMUFTF-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

2,5,8(1H)-Quinolinetrione
CID 267592
5-acetyl-6-methyl-2(1H)-pyridinone
CID 4421736
Quinone, 12
CID 14929519
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
4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1H-pyrrole-2,3-dione
CID 143920343
2,2-dimethyl-N-(2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propanamide
CID 24754582
Quinolone-3 (5h)-one
CID 129676565
4-methyl-1H-quinoline-2,5,6-trione
CID 24203341

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1H-quinoline-2,5,8-trione?
The IUPAC name of 3-ethyl-1H-quinoline-2,5,8-trione (CID 10856574) is 3-ethyl-1H-quinoline-2,5,8-trione.
What is the SMILES notation for 3-ethyl-1H-quinoline-2,5,8-trione?
The canonical SMILES for 3-ethyl-1H-quinoline-2,5,8-trione is CCc1cc2c([nH]c1=O)C(=O)C=CC2=O.
What is the InChIKey of 3-ethyl-1H-quinoline-2,5,8-trione?
The InChIKey is ZLKDKCWTGMUFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-2-6-5-7-8(13)3-4-9(14)10(7)12-11(6)15/h3-5H,2H2,1H3,(H,12,15).
What are the key properties of 3-ethyl-1H-quinoline-2,5,8-trione?
3-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 3-ethyl-1H-quinoline-2,5,8-trione is sourced from PubChem (CID 10856574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).