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

C12H8BrFN2OS — CID 113278973

IUPAC7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2cc(Br)c(F)cc2NC1c1cccs1
InChIInChI=1S/C12H8BrFN2OS/c13-6-4-8-9(5-7(6)14)15-11(12(17)16-8)10-2-1-3-18-10/h1-5,11,15H,(H,16,17)
InChIKeyWTUDIRXXXQLRFJ-UHFFFAOYSA-N
MW327.18 g/mol
LogP3.76
Rot. Bonds1

About 7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one

7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 113278973) has the molecular formula C12H8BrFN2OS and a molecular weight of 327.18 g/mol. Its IUPAC name is 7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID113278973
Molecular FormulaC12H8BrFN2OS
Molecular Weight327.18 g/mol
Exact Mass325.95
IUPAC Name7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2cc(Br)c(F)cc2NC1c1cccs1
InChIInChI=1S/C12H8BrFN2OS/c13-6-4-8-9(5-7(6)14)15-11(12(17)16-8)10-2-1-3-18-10/h1-5,11,15H,(H,16,17)
InChIKeyWTUDIRXXXQLRFJ-UHFFFAOYSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 115285760
2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile
CID 113444626
7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 115285765
6-bromo-3-cyclohexyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 116739803
3-bromo-2-fluoro-5,6a,7,8,9,10,10a,11-octahydrobenzo[b][1,4]benzodiazepin-6-one
CID 79295859
6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 114920979
7-bromo-8-fluoro-3-phenyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 116739793
7-bromo-6-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79290887
6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 116739838
6-(3-bromo-4-fluorophenyl)-9-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 17063426
7-fluoro-6-methyl-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
CID 103594416
(3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one
CID 54262037

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one (CID 113278973) is 7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one is O=C1Nc2cc(Br)c(F)cc2NC1c1cccs1.
What is the InChIKey of 7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is WTUDIRXXXQLRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2OS/c13-6-4-8-9(5-7(6)14)15-11(12(17)16-8)10-2-1-3-18-10/h1-5,11,15H,(H,16,17).
What are the key properties of 7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 327.18 g/mol, XLogP of 3.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 113278973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).