6-chloro-7-ethyl-1,4-dihydroquinoxaline-2,3-dione

C10H9ClN2O2 — CID 10823051

IUPAC6-chloro-7-ethyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCCc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C10H9ClN2O2/c1-2-5-3-7-8(4-6(5)11)13-10(15)9(14)12-7/h3-4H,2H2,1H3,(H,12,14)(H,13,15)
InChIKeyOFYGMWCDZXZHOH-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.43
Rot. Bonds1

About 6-chloro-7-ethyl-1,4-dihydroquinoxaline-2,3-dione

6-chloro-7-ethyl-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10823051) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 6-chloro-7-ethyl-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-chloro-7-ethyl-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10823051
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name6-chloro-7-ethyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCCc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C10H9ClN2O2/c1-2-5-3-7-8(4-6(5)11)13-10(15)9(14)12-7/h3-4H,2H2,1H3,(H,12,14)(H,13,15)
InChIKeyOFYGMWCDZXZHOH-UHFFFAOYSA-N
XLogP1.43
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-ethyl-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-chloro-7-ethyl-1,4-dihydroquinoxaline-2,3-dione (CID 10823051) is 6-chloro-7-ethyl-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-chloro-7-ethyl-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-chloro-7-ethyl-1,4-dihydroquinoxaline-2,3-dione is CCc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl.
What is the InChIKey of 6-chloro-7-ethyl-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is OFYGMWCDZXZHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-5-3-7-8(4-6(5)11)13-10(15)9(14)12-7/h3-4H,2H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 6-chloro-7-ethyl-1,4-dihydroquinoxaline-2,3-dione?
6-chloro-7-ethyl-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 224.65 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-ethyl-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10823051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).