5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one

C10H11BrN2O — CID 84635535

IUPAC5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCCC1Nc2c(Br)cccc2NC1=O
InChIInChI=1S/C10H11BrN2O/c1-2-7-10(14)13-8-5-3-4-6(11)9(8)12-7/h3-5,7,12H,2H2,1H3,(H,13,14)
InChIKeyQGEPFASMRQNRMF-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.59
Rot. Bonds1

About 5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one

5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 84635535) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID84635535
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCCC1Nc2c(Br)cccc2NC1=O
InChIInChI=1S/C10H11BrN2O/c1-2-7-10(14)13-8-5-3-4-6(11)9(8)12-7/h3-5,7,12H,2H2,1H3,(H,13,14)
InChIKeyQGEPFASMRQNRMF-UHFFFAOYSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one (CID 84635535) is 5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one is CCC1Nc2c(Br)cccc2NC1=O.
What is the InChIKey of 5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is QGEPFASMRQNRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-2-7-10(14)13-8-5-3-4-6(11)9(8)12-7/h3-5,7,12H,2H2,1H3,(H,13,14).
What are the key properties of 5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one?
5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 255.11 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 84635535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).