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

C8H5BrClN3O2 — CID 19958617

IUPAC5-amino-7-bromo-6-chloro-1,4-dihydroquinoxaline-2,3-dione
SMILESNc1c(Cl)c(Br)cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C8H5BrClN3O2/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)
InChIKeyAOBZMYLFXFDTST-UHFFFAOYSA-N
MW290.50 g/mol
LogP1.21
Rot. Bonds

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

5-amino-7-bromo-6-chloro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 19958617) has the molecular formula C8H5BrClN3O2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 5-amino-7-bromo-6-chloro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name5-amino-7-bromo-6-chloro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID19958617
Molecular FormulaC8H5BrClN3O2
Molecular Weight290.50 g/mol
Exact Mass288.93
IUPAC Name5-amino-7-bromo-6-chloro-1,4-dihydroquinoxaline-2,3-dione
SMILESNc1c(Cl)c(Br)cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C8H5BrClN3O2/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)
InChIKeyAOBZMYLFXFDTST-UHFFFAOYSA-N
XLogP1.21
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 51.21
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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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-bromo-6-chloro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 5-amino-7-bromo-6-chloro-1,4-dihydroquinoxaline-2,3-dione (CID 19958617) is 5-amino-7-bromo-6-chloro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 5-amino-7-bromo-6-chloro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 5-amino-7-bromo-6-chloro-1,4-dihydroquinoxaline-2,3-dione is Nc1c(Cl)c(Br)cc2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of 5-amino-7-bromo-6-chloro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is AOBZMYLFXFDTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClN3O2/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-7-bromo-6-chloro-1,4-dihydroquinoxaline-2,3-dione?
5-amino-7-bromo-6-chloro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 290.50 g/mol, XLogP of 1.21, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-bromo-6-chloro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 19958617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).