3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-quinoxalin-2-one

C18H16N2O3 — CID 8853414

IUPAC3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-quinoxalin-2-one
SMILESCOc1ccc(OC)c(/C=C/c2nc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C18H16N2O3/c1-22-13-8-10-17(23-2)12(11-13)7-9-16-18(21)20-15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,20,21)/b9-7+
InChIKeyFGGFVLUSYKVYFC-VQHVLOKHSA-N
MW308.34 g/mol
LogP3.11
Rot. Bonds4

About 3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-quinoxalin-2-one

3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-quinoxalin-2-one (PubChem CID 8853414) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-quinoxalin-2-one
PubChem CID8853414
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-quinoxalin-2-one
SMILESCOc1ccc(OC)c(/C=C/c2nc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C18H16N2O3/c1-22-13-8-10-17(23-2)12(11-13)7-9-16-18(21)20-15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,20,21)/b9-7+
InChIKeyFGGFVLUSYKVYFC-VQHVLOKHSA-N
XLogP3.11
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-quinoxalin-2-one (CID 8853414) is 3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-quinoxalin-2-one is COc1ccc(OC)c(/C=C/c2nc3ccccc3[nH]c2=O)c1.
What is the InChIKey of 3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-quinoxalin-2-one?
The InChIKey is FGGFVLUSYKVYFC-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-13-8-10-17(23-2)12(11-13)7-9-16-18(21)20-15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,20,21)/b9-7+.
What are the key properties of 3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-quinoxalin-2-one?
3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-quinoxalin-2-one has a molecular weight of 308.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 8853414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).