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

C12H12BrN3O2 — CID 10267377

IUPAC6-bromo-9-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
SMILESCN1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1
InChIInChI=1S/C12H12BrN3O2/c1-16-3-2-6-7(5-16)10-9(4-8(6)13)14-11(17)12(18)15-10/h4H,2-3,5H2,1H3,(H,14,17)(H,15,18)
InChIKeyOXFLLGUAOMHXPN-UHFFFAOYSA-N
MW310.15 g/mol
LogP0.97
Rot. Bonds

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

6-bromo-9-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione (PubChem CID 10267377) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 6-bromo-9-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name6-bromo-9-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
PubChem CID10267377
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name6-bromo-9-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
SMILESCN1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1
InChIInChI=1S/C12H12BrN3O2/c1-16-3-2-6-7(5-16)10-9(4-8(6)13)14-11(17)12(18)15-10/h4H,2-3,5H2,1H3,(H,14,17)(H,15,18)
InChIKeyOXFLLGUAOMHXPN-UHFFFAOYSA-N
XLogP0.97
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 50.97
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-9-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
The IUPAC name of 6-bromo-9-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione (CID 10267377) is 6-bromo-9-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione.
What is the SMILES notation for 6-bromo-9-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
The canonical SMILES for 6-bromo-9-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione is CN1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1.
What is the InChIKey of 6-bromo-9-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
The InChIKey is OXFLLGUAOMHXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-16-3-2-6-7(5-16)10-9(4-8(6)13)14-11(17)12(18)15-10/h4H,2-3,5H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 6-bromo-9-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
6-bromo-9-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione has a molecular weight of 310.15 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione is sourced from PubChem (CID 10267377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).