3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one

C18H15ClN2O3 — CID 135725610

IUPAC3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
SMILESCCOc1cc(/C=C/c2nc3ccccc3[nH]c2=O)cc(Cl)c1O
InChIInChI=1S/C18H15ClN2O3/c1-2-24-16-10-11(9-12(19)17(16)22)7-8-15-18(23)21-14-6-4-3-5-13(14)20-15/h3-10,22H,2H2,1H3,(H,21,23)/b8-7+
InChIKeyFXDUEHFPUCDWHX-BQYQJAHWSA-N
MW342.78 g/mol
LogP3.85
Rot. Bonds4

About 3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one

3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one (PubChem CID 135725610) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
PubChem CID135725610
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
SMILESCCOc1cc(/C=C/c2nc3ccccc3[nH]c2=O)cc(Cl)c1O
InChIInChI=1S/C18H15ClN2O3/c1-2-24-16-10-11(9-12(19)17(16)22)7-8-15-18(23)21-14-6-4-3-5-13(14)20-15/h3-10,22H,2H2,1H3,(H,21,23)/b8-7+
InChIKeyFXDUEHFPUCDWHX-BQYQJAHWSA-N
XLogP3.85
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135623432
2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135612820
(E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1-(2-chlorophenyl)prop-2-en-1-one
CID 8833111
3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 91938214
3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
CID 2975704
3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one
CID 91083494
2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol
CID 135556574
3-(1,3-benzothiazol-2-yl)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)but-3-enoic acid
CID 4820166
3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one
CID 135725609
5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 3264930
(E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 8833031
(Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid
CID 2554781

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one (CID 135725610) is 3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one is CCOc1cc(/C=C/c2nc3ccccc3[nH]c2=O)cc(Cl)c1O.
What is the InChIKey of 3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one?
The InChIKey is FXDUEHFPUCDWHX-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-2-24-16-10-11(9-12(19)17(16)22)7-8-15-18(23)21-14-6-4-3-5-13(14)20-15/h3-10,22H,2H2,1H3,(H,21,23)/b8-7+.
What are the key properties of 3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one?
3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one has a molecular weight of 342.78 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 135725610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).