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

C11H13BrN2O — CID 115095687

IUPAC6-bromo-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESCCN1c2cc(Br)ccc2NC(=O)C1C
InChIInChI=1S/C11H13BrN2O/c1-3-14-7(2)11(15)13-9-5-4-8(12)6-10(9)14/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyBLDVLWCEKZJVNI-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.62
Rot. Bonds1

About 6-bromo-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one

6-bromo-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one (PubChem CID 115095687) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 6-bromo-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one
PubChem CID115095687
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name6-bromo-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESCCN1c2cc(Br)ccc2NC(=O)C1C
InChIInChI=1S/C11H13BrN2O/c1-3-14-7(2)11(15)13-9-5-4-8(12)6-10(9)14/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyBLDVLWCEKZJVNI-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

Analyze 6-bromo-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one
CID 115095619
1-ethyl-5-methylimidazolidine-2,4-dione
CID 19007953
1-(4-bromo-2-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64962263
(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
CID 714172
7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115095634
3-bromo-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one
CID 79272071
4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-3-methylpiperazine-2,6-dione
CID 82968031
5-bromo-3-nonyl-1,3-dihydroindol-2-one
CID 106987050
6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one
CID 117006333
4-[(6-bromo-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)amino]benzonitrile
CID 21250315
(3R)-4-[[4-(azidomethoxy)phenyl]methyl]-3-(azidomethyl)-6-bromo-1,3-dihydroquinoxalin-2-one
CID 129237916
6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006336

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 6-bromo-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one (CID 115095687) is 6-bromo-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-bromo-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 6-bromo-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one is CCN1c2cc(Br)ccc2NC(=O)C1C.
What is the InChIKey of 6-bromo-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is BLDVLWCEKZJVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-3-14-7(2)11(15)13-9-5-4-8(12)6-10(9)14/h4-7H,3H2,1-2H3,(H,13,15).
What are the key properties of 6-bromo-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one?
6-bromo-4-ethyl-3-methyl-1,3-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 6-bromo-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 115095687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).