ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione

C12H16N2O3 — CID 163261599

IUPACethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
SMILESCC.O=c1[nH]c2ccccc2n(CCO)c1=O
InChIInChI=1S/C10H10N2O3.C2H6/c13-6-5-12-8-4-2-1-3-7(8)11-9(14)10(12)15;1-2/h1-4,13H,5-6H2,(H,11,14);1-2H3
InChIKeyJWJLOEAIOBZSOC-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.71
Rot. Bonds2

About ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione

ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione (PubChem CID 163261599) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Nameethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
PubChem CID163261599
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
SMILESCC.O=c1[nH]c2ccccc2n(CCO)c1=O
InChIInChI=1S/C10H10N2O3.C2H6/c13-6-5-12-8-4-2-1-3-7(8)11-9(14)10(12)15;1-2/h1-4,13H,5-6H2,(H,11,14);1-2H3
InChIKeyJWJLOEAIOBZSOC-UHFFFAOYSA-N
XLogP0.71
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-pentyl-1H-quinoxaline-2,3-dione
CID 169224633
7-chloro-4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
CID 19827793
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide
CID 110396403
3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate
CID 163261574
2-(2,3-dioxo-4H-quinoxalin-1-yl)acetonitrile
CID 19827841
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methylbenzamide
CID 110396409
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide
CID 110396408
3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate
CID 163261612
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110396431
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide
CID 110396450
2-bromo-N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide
CID 110396413
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide
CID 110396484

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione?
The IUPAC name of ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione (CID 163261599) is ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione.
What is the SMILES notation for ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione?
The canonical SMILES for ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione is CC.O=c1[nH]c2ccccc2n(CCO)c1=O.
What is the InChIKey of ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione?
The InChIKey is JWJLOEAIOBZSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3.C2H6/c13-6-5-12-8-4-2-1-3-7(8)11-9(14)10(12)15;1-2/h1-4,13H,5-6H2,(H,11,14);1-2H3.
What are the key properties of ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione?
ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione has a molecular weight of 236.27 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 163261599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).