6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione

C10H10N2O3 — CID 61088243

IUPAC6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESCC(O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C10H10N2O3/c1-5(13)6-2-3-7-8(4-6)12-10(15)9(14)11-7/h2-5,13H,1H3,(H,11,14)(H,12,15)
InChIKeyHZMYJNOFXPXQPC-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.27
Rot. Bonds1

About 6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione

6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 61088243) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID61088243
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESCC(O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C10H10N2O3/c1-5(13)6-2-3-7-8(4-6)12-10(15)9(14)11-7/h2-5,13H,1H3,(H,11,14)(H,12,15)
InChIKeyHZMYJNOFXPXQPC-UHFFFAOYSA-N
XLogP0.27
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61089199
2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid
CID 82389538
6-[hydroxy-(4-methylthiophen-3-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 79808428
6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43483374
6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495873
6-(1-hydroxyethyl)-3H-1,3-benzoselenazol-2-one
CID 10377058
5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide
CID 62933997
6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 64868082
3-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanoic acid
CID 117375297
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283003
6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43483366

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione (CID 61088243) is 6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione is CC(O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is HZMYJNOFXPXQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-5(13)6-2-3-7-8(4-6)12-10(15)9(14)11-7/h2-5,13H,1H3,(H,11,14)(H,12,15).
What are the key properties of 6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione?
6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 206.20 g/mol, XLogP of 0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 61088243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).