6-bromo-1,4,7,8,9,10-hexahydropyrido[3,2-f]quinoxaline-2,3-dione

C11H10BrN3O2 — CID 10108578

IUPAC6-bromo-1,4,7,8,9,10-hexahydropyrido[3,2-f]quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Br)c3c(c2[nH]c1=O)CCCN3
InChIInChI=1S/C11H10BrN3O2/c12-6-4-7-9(15-11(17)10(16)14-7)5-2-1-3-13-8(5)6/h4,13H,1-3H2,(H,14,16)(H,15,17)
InChIKeyOGAMMKNNYFJESR-UHFFFAOYSA-N
MW296.12 g/mol
LogP1.34
Rot. Bonds

About 6-bromo-1,4,7,8,9,10-hexahydropyrido[3,2-f]quinoxaline-2,3-dione

6-bromo-1,4,7,8,9,10-hexahydropyrido[3,2-f]quinoxaline-2,3-dione (PubChem CID 10108578) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 6-bromo-1,4,7,8,9,10-hexahydropyrido[3,2-f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name6-bromo-1,4,7,8,9,10-hexahydropyrido[3,2-f]quinoxaline-2,3-dione
PubChem CID10108578
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name6-bromo-1,4,7,8,9,10-hexahydropyrido[3,2-f]quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Br)c3c(c2[nH]c1=O)CCCN3
InChIInChI=1S/C11H10BrN3O2/c12-6-4-7-9(15-11(17)10(16)14-7)5-2-1-3-13-8(5)6/h4,13H,1-3H2,(H,14,16)(H,15,17)
InChIKeyOGAMMKNNYFJESR-UHFFFAOYSA-N
XLogP1.34
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 51.34
H-Bond Donors ≤ 53
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 6-bromo-1,4,7,8,9,10-hexahydropyrido[3,2-f]quinoxaline-2,3-dione?
The IUPAC name of 6-bromo-1,4,7,8,9,10-hexahydropyrido[3,2-f]quinoxaline-2,3-dione (CID 10108578) is 6-bromo-1,4,7,8,9,10-hexahydropyrido[3,2-f]quinoxaline-2,3-dione.
What is the SMILES notation for 6-bromo-1,4,7,8,9,10-hexahydropyrido[3,2-f]quinoxaline-2,3-dione?
The canonical SMILES for 6-bromo-1,4,7,8,9,10-hexahydropyrido[3,2-f]quinoxaline-2,3-dione is O=c1[nH]c2cc(Br)c3c(c2[nH]c1=O)CCCN3.
What is the InChIKey of 6-bromo-1,4,7,8,9,10-hexahydropyrido[3,2-f]quinoxaline-2,3-dione?
The InChIKey is OGAMMKNNYFJESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c12-6-4-7-9(15-11(17)10(16)14-7)5-2-1-3-13-8(5)6/h4,13H,1-3H2,(H,14,16)(H,15,17).
What are the key properties of 6-bromo-1,4,7,8,9,10-hexahydropyrido[3,2-f]quinoxaline-2,3-dione?
6-bromo-1,4,7,8,9,10-hexahydropyrido[3,2-f]quinoxaline-2,3-dione has a molecular weight of 296.12 g/mol, XLogP of 1.34, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,4,7,8,9,10-hexahydropyrido[3,2-f]quinoxaline-2,3-dione is sourced from PubChem (CID 10108578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).