6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one

C16H14BrFN2O — CID 114920979

IUPAC6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2cc(F)c(Br)cc2NC1CCc1ccccc1
InChIInChI=1S/C16H14BrFN2O/c17-11-8-14-15(9-12(11)18)20-16(21)13(19-14)7-6-10-4-2-1-3-5-10/h1-5,8-9,13,19H,6-7H2,(H,20,21)
InChIKeyIHZAFWUUPRRHNR-UHFFFAOYSA-N
MW349.20 g/mol
LogP3.95
Rot. Bonds3

About 6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one

6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 114920979) has the molecular formula C16H14BrFN2O and a molecular weight of 349.20 g/mol. Its IUPAC name is 6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID114920979
Molecular FormulaC16H14BrFN2O
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC Name6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2cc(F)c(Br)cc2NC1CCc1ccccc1
InChIInChI=1S/C16H14BrFN2O/c17-11-8-14-15(9-12(11)18)20-16(21)13(19-14)7-6-10-4-2-1-3-5-10/h1-5,8-9,13,19H,6-7H2,(H,20,21)
InChIKeyIHZAFWUUPRRHNR-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-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-bromo-6-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79290887
7-bromo-3-(2-phenylethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 10784666
6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 116739838
7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 113278973
7-bromo-8-fluoro-3-phenyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 116739793
3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 82156858
6-bromo-3-cyclohexyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 116739803
3-butyl-6-fluoro-7-iodo-3,4-dihydro-1H-quinoxalin-2-one
CID 79291171
3-(7-bromo-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)propanoic acid
CID 79290535
(2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 16660851
(5S)-5-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione
CID 95144362
3-benzyl-8-fluoro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 54300452

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one (CID 114920979) is 6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one is O=C1Nc2cc(F)c(Br)cc2NC1CCc1ccccc1.
What is the InChIKey of 6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is IHZAFWUUPRRHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O/c17-11-8-14-15(9-12(11)18)20-16(21)13(19-14)7-6-10-4-2-1-3-5-10/h1-5,8-9,13,19H,6-7H2,(H,20,21).
What are the key properties of 6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one?
6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 349.20 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 114920979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).