8-bromo-3-ethyl-1-methyl-3,4-dihydroquinoxalin-2-one

C11H13BrN2O — CID 84641119

IUPAC8-bromo-3-ethyl-1-methyl-3,4-dihydroquinoxalin-2-one
SMILESCCC1Nc2cccc(Br)c2N(C)C1=O
InChIInChI=1S/C11H13BrN2O/c1-3-8-11(15)14(2)10-7(12)5-4-6-9(10)13-8/h4-6,8,13H,3H2,1-2H3
InChIKeyIURFJKLGDBYGRL-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.62
Rot. Bonds1

About 8-bromo-3-ethyl-1-methyl-3,4-dihydroquinoxalin-2-one

8-bromo-3-ethyl-1-methyl-3,4-dihydroquinoxalin-2-one (PubChem CID 84641119) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 8-bromo-3-ethyl-1-methyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name8-bromo-3-ethyl-1-methyl-3,4-dihydroquinoxalin-2-one
PubChem CID84641119
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name8-bromo-3-ethyl-1-methyl-3,4-dihydroquinoxalin-2-one
SMILESCCC1Nc2cccc(Br)c2N(C)C1=O
InChIInChI=1S/C11H13BrN2O/c1-3-8-11(15)14(2)10-7(12)5-4-6-9(10)13-8/h4-6,8,13H,3H2,1-2H3
InChIKeyIURFJKLGDBYGRL-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 84635535
4-bromo-3-ethyl-1-methyl-3H-indol-2-one
CID 102131147
1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 107604069
5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one
CID 115095436
1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84623020
2,5-diethyl-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84620474
3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84643367
acetic acid;1-(benzenesulfonyl)-3-ethyl-3,4-dihydroquinoxalin-2-one
CID 70373370
2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid
CID 22064901
5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
CID 115096887
(3S)-3-[(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinoxalin-2-one
CID 121274986
5-bromo-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097278

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-ethyl-1-methyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 8-bromo-3-ethyl-1-methyl-3,4-dihydroquinoxalin-2-one (CID 84641119) is 8-bromo-3-ethyl-1-methyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 8-bromo-3-ethyl-1-methyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 8-bromo-3-ethyl-1-methyl-3,4-dihydroquinoxalin-2-one is CCC1Nc2cccc(Br)c2N(C)C1=O.
What is the InChIKey of 8-bromo-3-ethyl-1-methyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is IURFJKLGDBYGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-3-8-11(15)14(2)10-7(12)5-4-6-9(10)13-8/h4-6,8,13H,3H2,1-2H3.
What are the key properties of 8-bromo-3-ethyl-1-methyl-3,4-dihydroquinoxalin-2-one?
8-bromo-3-ethyl-1-methyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 269.14 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-ethyl-1-methyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 84641119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).