5-amino-6,7-dibromo-1,4-dihydroquinoxaline-2,3-dione

C8H5Br2N3O2 — CID 10520762

IUPAC5-amino-6,7-dibromo-1,4-dihydroquinoxaline-2,3-dione
SMILESNc1c(Br)c(Br)cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C8H5Br2N3O2/c9-2-1-3-6(5(11)4(2)10)13-8(15)7(14)12-3/h1H,11H2,(H,12,14)(H,13,15)
InChIKeyJFVDZBLVGCRNIX-UHFFFAOYSA-N
MW334.96 g/mol
LogP1.32
Rot. Bonds

About 5-amino-6,7-dibromo-1,4-dihydroquinoxaline-2,3-dione

5-amino-6,7-dibromo-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10520762) has the molecular formula C8H5Br2N3O2 and a molecular weight of 334.96 g/mol. Its IUPAC name is 5-amino-6,7-dibromo-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name5-amino-6,7-dibromo-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10520762
Molecular FormulaC8H5Br2N3O2
Molecular Weight334.96 g/mol
Exact Mass332.87
IUPAC Name5-amino-6,7-dibromo-1,4-dihydroquinoxaline-2,3-dione
SMILESNc1c(Br)c(Br)cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C8H5Br2N3O2/c9-2-1-3-6(5(11)4(2)10)13-8(15)7(14)12-3/h1H,11H2,(H,12,14)(H,13,15)
InChIKeyJFVDZBLVGCRNIX-UHFFFAOYSA-N
XLogP1.32
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.96
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,7-Dibromo-1,4-dihydro-2,3-quinoxalinedione
CID 10591750
Acea-1031
CID 9799201
6-Bromo-1,2,3,4-tetrahydroquinoxalin-2-one
CID 66911307
6-Bromo-7-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 10380287
7-Bromo-6-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 10380288
6,7-Dibromo-1,4-dihydroquinoxaline-2,3-dione
CID 15021835
7-Bromo-1,2,3,4-tetrahydroquinoxalin-2-one
CID 24707978
6-Bromo-1,4-dihydroquinoxaline-2,3-dione
CID 5062264
6-Bromo-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 10731901
6-Bromo-1-methyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione
CID 3846596
5-Bromo-1,2,3,4-tetrahydroquinoxalin-2-one
CID 10727982
6-Bromo-3,4-dihydro-4-methyl-2(1H)-quinoxalinone
CID 22667740

Frequently Asked Questions

What is the IUPAC name of 5-amino-6,7-dibromo-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 5-amino-6,7-dibromo-1,4-dihydroquinoxaline-2,3-dione (CID 10520762) is 5-amino-6,7-dibromo-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 5-amino-6,7-dibromo-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 5-amino-6,7-dibromo-1,4-dihydroquinoxaline-2,3-dione is Nc1c(Br)c(Br)cc2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of 5-amino-6,7-dibromo-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is JFVDZBLVGCRNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2N3O2/c9-2-1-3-6(5(11)4(2)10)13-8(15)7(14)12-3/h1H,11H2,(H,12,14)(H,13,15).
What are the key properties of 5-amino-6,7-dibromo-1,4-dihydroquinoxaline-2,3-dione?
5-amino-6,7-dibromo-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 334.96 g/mol, XLogP of 1.32, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6,7-dibromo-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10520762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).