6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione

C8H4Cl2N2O2 — CID 1845

IUPAC6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)c(Cl)cc2[nH]c1=O
InChIInChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)
InChIKeyAVBSIKMUAFYZAV-UHFFFAOYSA-N
MW231.04 g/mol
LogP1.52
Rot. Bonds

About 6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione

6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 1845) has the molecular formula C8H4Cl2N2O2 and a molecular weight of 231.04 g/mol. Its IUPAC name is 6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID1845
Molecular FormulaC8H4Cl2N2O2
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Name6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)c(Cl)cc2[nH]c1=O
InChIInChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)
InChIKeyAVBSIKMUAFYZAV-UHFFFAOYSA-N
XLogP1.52
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 51.52
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 6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione (CID 1845) is 6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(Cl)c(Cl)cc2[nH]c1=O.
What is the InChIKey of 6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is AVBSIKMUAFYZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14).
What are the key properties of 6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione?
6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 231.04 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 1845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).