5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one

C10H11BrN2O — CID 84635526

IUPAC5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one
SMILESCCN1C(=O)CNc2c(Br)cccc21
InChIInChI=1S/C10H11BrN2O/c1-2-13-8-5-3-4-7(11)10(8)12-6-9(13)14/h3-5,12H,2,6H2,1H3
InChIKeyKNWMGXHWCVXPCV-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.23
Rot. Bonds1

About 5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one

5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one (PubChem CID 84635526) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one
PubChem CID84635526
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one
SMILESCCN1C(=O)CNc2c(Br)cccc21
InChIInChI=1S/C10H11BrN2O/c1-2-13-8-5-3-4-7(11)10(8)12-6-9(13)14/h3-5,12H,2,6H2,1H3
InChIKeyKNWMGXHWCVXPCV-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one (CID 84635526) is 5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one is CCN1C(=O)CNc2c(Br)cccc21.
What is the InChIKey of 5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is KNWMGXHWCVXPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-2-13-8-5-3-4-7(11)10(8)12-6-9(13)14/h3-5,12H,2,6H2,1H3.
What are the key properties of 5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one?
5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 255.11 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 84635526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).