6-bromo-7-methoxyquinoxaline-5,8-dione

C9H5BrN2O3 — CID 12867784

IUPAC6-bromo-7-methoxyquinoxaline-5,8-dione
SMILESCOC1=C(Br)C(=O)c2nccnc2C1=O
InChIInChI=1S/C9H5BrN2O3/c1-15-9-4(10)7(13)5-6(8(9)14)12-3-2-11-5/h2-3H,1H3
InChIKeyIMLPCLKRMVPEEY-UHFFFAOYSA-N
MW269.05 g/mol
LogP1.11
Rot. Bonds1

About 6-bromo-7-methoxyquinoxaline-5,8-dione

6-bromo-7-methoxyquinoxaline-5,8-dione (PubChem CID 12867784) has the molecular formula C9H5BrN2O3 and a molecular weight of 269.05 g/mol. Its IUPAC name is 6-bromo-7-methoxyquinoxaline-5,8-dione.

Molecular Properties

Compound Name6-bromo-7-methoxyquinoxaline-5,8-dione
PubChem CID12867784
Molecular FormulaC9H5BrN2O3
Molecular Weight269.05 g/mol
Exact Mass267.95
IUPAC Name6-bromo-7-methoxyquinoxaline-5,8-dione
SMILESCOC1=C(Br)C(=O)c2nccnc2C1=O
InChIInChI=1S/C9H5BrN2O3/c1-15-9-4(10)7(13)5-6(8(9)14)12-3-2-11-5/h2-3H,1H3
InChIKeyIMLPCLKRMVPEEY-UHFFFAOYSA-N
XLogP1.11
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.05
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methoxyquinoxaline-5,8-dione?
The IUPAC name of 6-bromo-7-methoxyquinoxaline-5,8-dione (CID 12867784) is 6-bromo-7-methoxyquinoxaline-5,8-dione.
What is the SMILES notation for 6-bromo-7-methoxyquinoxaline-5,8-dione?
The canonical SMILES for 6-bromo-7-methoxyquinoxaline-5,8-dione is COC1=C(Br)C(=O)c2nccnc2C1=O.
What is the InChIKey of 6-bromo-7-methoxyquinoxaline-5,8-dione?
The InChIKey is IMLPCLKRMVPEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN2O3/c1-15-9-4(10)7(13)5-6(8(9)14)12-3-2-11-5/h2-3H,1H3.
What are the key properties of 6-bromo-7-methoxyquinoxaline-5,8-dione?
6-bromo-7-methoxyquinoxaline-5,8-dione has a molecular weight of 269.05 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methoxyquinoxaline-5,8-dione is sourced from PubChem (CID 12867784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).