6-bromo-9-ethyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione

C13H14BrN3O2 — CID 10245665

IUPAC6-bromo-9-ethyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
SMILESCCN1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1
InChIInChI=1S/C13H14BrN3O2/c1-2-17-4-3-7-8(6-17)11-10(5-9(7)14)15-12(18)13(19)16-11/h5H,2-4,6H2,1H3,(H,15,18)(H,16,19)
InChIKeySZDFHXUFOMONKJ-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.36
Rot. Bonds1

About 6-bromo-9-ethyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione

6-bromo-9-ethyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione (PubChem CID 10245665) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 6-bromo-9-ethyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name6-bromo-9-ethyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
PubChem CID10245665
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name6-bromo-9-ethyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
SMILESCCN1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1
InChIInChI=1S/C13H14BrN3O2/c1-2-17-4-3-7-8(6-17)11-10(5-9(7)14)15-12(18)13(19)16-11/h5H,2-4,6H2,1H3,(H,15,18)(H,16,19)
InChIKeySZDFHXUFOMONKJ-UHFFFAOYSA-N
XLogP1.36
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 6-bromo-9-ethyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione with MolForge

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Related Compounds

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CID 9818134
CID 9907266
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CID 10019119
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CID 10108578
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CID 10267377
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CID 10431084
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CID 10443883
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CID 10472283
CID 10472283

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-ethyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
The IUPAC name of 6-bromo-9-ethyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione (CID 10245665) is 6-bromo-9-ethyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione.
What is the SMILES notation for 6-bromo-9-ethyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
The canonical SMILES for 6-bromo-9-ethyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione is CCN1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1.
What is the InChIKey of 6-bromo-9-ethyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
The InChIKey is SZDFHXUFOMONKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-2-17-4-3-7-8(6-17)11-10(5-9(7)14)15-12(18)13(19)16-11/h5H,2-4,6H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 6-bromo-9-ethyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
6-bromo-9-ethyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione has a molecular weight of 324.18 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-ethyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione is sourced from PubChem (CID 10245665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).