7-bromo-5-methyl-1,4-dihydroquinoxaline-2,3-dione

C9H7BrN2O2 — CID 15550133

IUPAC7-bromo-5-methyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C9H7BrN2O2/c1-4-2-5(10)3-6-7(4)12-9(14)8(13)11-6/h2-3H,1H3,(H,11,13)(H,12,14)
InChIKeyGPMRDSHBSYWDAV-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.29
Rot. Bonds

About 7-bromo-5-methyl-1,4-dihydroquinoxaline-2,3-dione

7-bromo-5-methyl-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 15550133) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 7-bromo-5-methyl-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name7-bromo-5-methyl-1,4-dihydroquinoxaline-2,3-dione
PubChem CID15550133
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name7-bromo-5-methyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C9H7BrN2O2/c1-4-2-5(10)3-6-7(4)12-9(14)8(13)11-6/h2-3H,1H3,(H,11,13)(H,12,14)
InChIKeyGPMRDSHBSYWDAV-UHFFFAOYSA-N
XLogP1.29
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.29
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 7-bromo-5-methyl-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 7-bromo-5-methyl-1,4-dihydroquinoxaline-2,3-dione (CID 15550133) is 7-bromo-5-methyl-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 7-bromo-5-methyl-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 7-bromo-5-methyl-1,4-dihydroquinoxaline-2,3-dione is Cc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of 7-bromo-5-methyl-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is GPMRDSHBSYWDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-4-2-5(10)3-6-7(4)12-9(14)8(13)11-6/h2-3H,1H3,(H,11,13)(H,12,14).
What are the key properties of 7-bromo-5-methyl-1,4-dihydroquinoxaline-2,3-dione?
7-bromo-5-methyl-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 255.07 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methyl-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 15550133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).