3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one

C16H11FN2O — CID 2975704

IUPAC3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1C=Cc1ccc(F)cc1
InChIInChI=1S/C16H11FN2O/c17-12-8-5-11(6-9-12)7-10-15-16(20)19-14-4-2-1-3-13(14)18-15/h1-10H,(H,19,20)
InChIKeyZSLSXFWCXGSCRK-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.23
Rot. Bonds2

About 3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one

3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one (PubChem CID 2975704) has the molecular formula C16H11FN2O and a molecular weight of 266.28 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
PubChem CID2975704
Molecular FormulaC16H11FN2O
Molecular Weight266.28 g/mol
Exact Mass266.09
IUPAC Name3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1C=Cc1ccc(F)cc1
InChIInChI=1S/C16H11FN2O/c17-12-8-5-11(6-9-12)7-10-15-16(20)19-14-4-2-1-3-13(14)18-15/h1-10H,(H,19,20)
InChIKeyZSLSXFWCXGSCRK-UHFFFAOYSA-N
XLogP3.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one
CID 91083494
3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
CID 7150501
3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 91938214
6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one
CID 22341125
3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135623432
(Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid
CID 2554781
3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one
CID 135725609
3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
CID 137037919
3-[(E)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]-1H-quinoxalin-2-one
CID 40671399
3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135725610
3-(2-hydroxy-3,3-dimethylbut-1-enyl)-1H-quinoxalin-2-one
CID 702935
3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one
CID 47000996

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one (CID 2975704) is 3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1C=Cc1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one?
The InChIKey is ZSLSXFWCXGSCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O/c17-12-8-5-11(6-9-12)7-10-15-16(20)19-14-4-2-1-3-13(14)18-15/h1-10H,(H,19,20).
What are the key properties of 3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one?
3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one has a molecular weight of 266.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 2975704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).