7-bromo-4-methyl-1H-quinoxaline-2,3-dione

C9H7BrN2O2 — CID 3846596

IUPAC7-bromo-4-methyl-1H-quinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)[nH]c2cc(Br)ccc21
InChIInChI=1S/C9H7BrN2O2/c1-12-7-3-2-5(10)4-6(7)11-8(13)9(12)14/h2-4H,1H3,(H,11,13)
InChIKeyBROVAGOLEYHCJM-UHFFFAOYSA-N
MW255.07 g/mol
LogP0.99
Rot. Bonds

About 7-bromo-4-methyl-1H-quinoxaline-2,3-dione

7-bromo-4-methyl-1H-quinoxaline-2,3-dione (PubChem CID 3846596) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 7-bromo-4-methyl-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name7-bromo-4-methyl-1H-quinoxaline-2,3-dione
PubChem CID3846596
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name7-bromo-4-methyl-1H-quinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)[nH]c2cc(Br)ccc21
InChIInChI=1S/C9H7BrN2O2/c1-12-7-3-2-5(10)4-6(7)11-8(13)9(12)14/h2-4H,1H3,(H,11,13)
InChIKeyBROVAGOLEYHCJM-UHFFFAOYSA-N
XLogP0.99
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 7-bromo-4-methyl-1H-quinoxaline-2,3-dione?
The IUPAC name of 7-bromo-4-methyl-1H-quinoxaline-2,3-dione (CID 3846596) is 7-bromo-4-methyl-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 7-bromo-4-methyl-1H-quinoxaline-2,3-dione?
The canonical SMILES for 7-bromo-4-methyl-1H-quinoxaline-2,3-dione is Cn1c(=O)c(=O)[nH]c2cc(Br)ccc21.
What is the InChIKey of 7-bromo-4-methyl-1H-quinoxaline-2,3-dione?
The InChIKey is BROVAGOLEYHCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-12-7-3-2-5(10)4-6(7)11-8(13)9(12)14/h2-4H,1H3,(H,11,13).
What are the key properties of 7-bromo-4-methyl-1H-quinoxaline-2,3-dione?
7-bromo-4-methyl-1H-quinoxaline-2,3-dione has a molecular weight of 255.07 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methyl-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 3846596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).