6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one

C12H9BrN2OS — CID 115285760

IUPAC6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2ccc(Br)cc2NC1c1cccs1
InChIInChI=1S/C12H9BrN2OS/c13-7-3-4-8-9(6-7)14-11(12(16)15-8)10-2-1-5-17-10/h1-6,11,14H,(H,15,16)
InChIKeyZUTXSBFJHUWUGA-UHFFFAOYSA-N
MW309.19 g/mol
LogP3.62
Rot. Bonds1

About 6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one

6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 115285760) has the molecular formula C12H9BrN2OS and a molecular weight of 309.19 g/mol. Its IUPAC name is 6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID115285760
Molecular FormulaC12H9BrN2OS
Molecular Weight309.19 g/mol
Exact Mass307.96
IUPAC Name6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2ccc(Br)cc2NC1c1cccs1
InChIInChI=1S/C12H9BrN2OS/c13-7-3-4-8-9(6-7)14-11(12(16)15-8)10-2-1-5-17-10/h1-6,11,14H,(H,15,16)
InChIKeyZUTXSBFJHUWUGA-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile
CID 113444626
7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 113278973
7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 115285765
7-bromo-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115285777
7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
CID 79290898
6-bromo-3-cyclohexyl-3,4-dihydro-1H-quinoxalin-2-one
CID 79296114
5-bromo-3-(thiophen-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 43204711
5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one
CID 43195154
1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one
CID 137011069
1,4-dithiophen-2-yl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-3,6-dione
CID 77153151
3-(7-bromo-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)propanoic acid
CID 79290535
6-bromo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79290350

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one (CID 115285760) is 6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one is O=C1Nc2ccc(Br)cc2NC1c1cccs1.
What is the InChIKey of 6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is ZUTXSBFJHUWUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2OS/c13-7-3-4-8-9(6-7)14-11(12(16)15-8)10-2-1-5-17-10/h1-6,11,14H,(H,15,16).
What are the key properties of 6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 309.19 g/mol, XLogP of 3.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 115285760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).