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

C17H13FN2O2 — CID 91938214

IUPAC3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one
SMILESCOc1ccc(C=Cc2nc3ccccc3[nH]c2=O)cc1F
InChIInChI=1S/C17H13FN2O2/c1-22-16-9-7-11(10-12(16)18)6-8-15-17(21)20-14-5-3-2-4-13(14)19-15/h2-10H,1H3,(H,20,21)
InChIKeyOPOXOSJGUAXSSR-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.24
Rot. Bonds3

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

3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one (PubChem CID 91938214) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one
PubChem CID91938214
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one
SMILESCOc1ccc(C=Cc2nc3ccccc3[nH]c2=O)cc1F
InChIInChI=1S/C17H13FN2O2/c1-22-16-9-7-11(10-12(16)18)6-8-15-17(21)20-14-5-3-2-4-13(14)19-15/h2-10H,1H3,(H,20,21)
InChIKeyOPOXOSJGUAXSSR-UHFFFAOYSA-N
XLogP3.24
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one (CID 91938214) is 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one is COc1ccc(C=Cc2nc3ccccc3[nH]c2=O)cc1F.
What is the InChIKey of 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one?
The InChIKey is OPOXOSJGUAXSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-22-16-9-7-11(10-12(16)18)6-8-15-17(21)20-14-5-3-2-4-13(14)19-15/h2-10H,1H3,(H,20,21).
What are the key properties of 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one?
3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one has a molecular weight of 296.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 91938214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).