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

C13H15BrClN3O2 — CID 23193691

IUPAC6-bromo-8-ethyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione;hydrochloride
SMILESCCN1CCc2c(c(Br)cc3[nH]c(=O)c(=O)[nH]c23)C1.Cl
InChIInChI=1S/C13H14BrN3O2.ClH/c1-2-17-4-3-7-8(6-17)9(14)5-10-11(7)16-13(19)12(18)15-10;/h5H,2-4,6H2,1H3,(H,15,18)(H,16,19);1H
InChIKeyGIBLNOCDCOEOKE-UHFFFAOYSA-N
MW360.64 g/mol
LogP1.78
Rot. Bonds1

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

6-bromo-8-ethyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione;hydrochloride (PubChem CID 23193691) has the molecular formula C13H15BrClN3O2 and a molecular weight of 360.64 g/mol. Its IUPAC name is 6-bromo-8-ethyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione;hydrochloride.

Molecular Properties

Compound Name6-bromo-8-ethyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione;hydrochloride
PubChem CID23193691
Molecular FormulaC13H15BrClN3O2
Molecular Weight360.64 g/mol
Exact Mass359.00
IUPAC Name6-bromo-8-ethyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione;hydrochloride
SMILESCCN1CCc2c(c(Br)cc3[nH]c(=O)c(=O)[nH]c23)C1.Cl
InChIInChI=1S/C13H14BrN3O2.ClH/c1-2-17-4-3-7-8(6-17)9(14)5-10-11(7)16-13(19)12(18)15-10;/h5H,2-4,6H2,1H3,(H,15,18)(H,16,19);1H
InChIKeyGIBLNOCDCOEOKE-UHFFFAOYSA-N
XLogP1.78
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 51.78
H-Bond Donors ≤ 52
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-8-ethyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione;hydrochloride?
The IUPAC name of 6-bromo-8-ethyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione;hydrochloride (CID 23193691) is 6-bromo-8-ethyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione;hydrochloride.
What is the SMILES notation for 6-bromo-8-ethyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione;hydrochloride?
The canonical SMILES for 6-bromo-8-ethyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione;hydrochloride is CCN1CCc2c(c(Br)cc3[nH]c(=O)c(=O)[nH]c23)C1.Cl.
What is the InChIKey of 6-bromo-8-ethyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione;hydrochloride?
The InChIKey is GIBLNOCDCOEOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2.ClH/c1-2-17-4-3-7-8(6-17)9(14)5-10-11(7)16-13(19)12(18)15-10;/h5H,2-4,6H2,1H3,(H,15,18)(H,16,19);1H.
What are the key properties of 6-bromo-8-ethyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione;hydrochloride?
6-bromo-8-ethyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione;hydrochloride has a molecular weight of 360.64 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-ethyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione;hydrochloride is sourced from PubChem (CID 23193691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).