[4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate

C28H22N2O4 — CID 22765476

IUPAC[4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(/C=C/c2nc3ccccc3nc2/C=C/c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C28H22N2O4/c1-19(31)33-23-13-7-21(8-14-23)11-17-27-28(30-26-6-4-3-5-25(26)29-27)18-12-22-9-15-24(16-10-22)34-20(2)32/h3-18H,1-2H3/b17-11+,18-12+
InChIKeyXVEKILNUEFPRMY-JYFOCSDGSA-N
MW450.49 g/mol
LogP5.82
Rot. Bonds6

About [4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate

[4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate (PubChem CID 22765476) has the molecular formula C28H22N2O4 and a molecular weight of 450.49 g/mol. Its IUPAC name is [4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate
PubChem CID22765476
Molecular FormulaC28H22N2O4
Molecular Weight450.49 g/mol
Exact Mass450.16
IUPAC Name[4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(/C=C/c2nc3ccccc3nc2/C=C/c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C28H22N2O4/c1-19(31)33-23-13-7-21(8-14-23)11-17-27-28(30-26-6-4-3-5-25(26)29-27)18-12-22-9-15-24(16-10-22)34-20(2)32/h3-18H,1-2H3/b17-11+,18-12+
InChIKeyXVEKILNUEFPRMY-JYFOCSDGSA-N
XLogP5.82
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate 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

[4-[2-(3-chloroquinoxalin-2-yl)ethenyl]phenyl] acetate
CID 3843916
[4-[2-[3,5,6-tris[2-(4-benzoyloxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl] benzoate
CID 54020846
2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline
CID 70309974
tetrakis([4-[5-(4-acetyloxyphenyl)-3-oxopenta-1,4-dienyl]phenyl] acetate);bis(palladium)
CID 173130070
[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenyl] acetate
CID 135590193
[4-[2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl] acetate
CID 2974413
[4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate
CID 59301729
2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline
CID 5475836
[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate
CID 155042421
[4-[2-(2-nitrophenyl)ethenyl]phenyl] acetate
CID 66627035
[4-[(E)-2-(benzenesulfonyl)ethenyl]phenyl] acetate
CID 101207507
[4-[(E)-3-chloroprop-1-enyl]phenyl] acetate
CID 22770523

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate?
The IUPAC name of [4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate (CID 22765476) is [4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate.
What is the SMILES notation for [4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate?
The canonical SMILES for [4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate is CC(=O)Oc1ccc(/C=C/c2nc3ccccc3nc2/C=C/c2ccc(OC(C)=O)cc2)cc1.
What is the InChIKey of [4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate?
The InChIKey is XVEKILNUEFPRMY-JYFOCSDGSA-N. The full InChI is InChI=1S/C28H22N2O4/c1-19(31)33-23-13-7-21(8-14-23)11-17-27-28(30-26-6-4-3-5-25(26)29-27)18-12-22-9-15-24(16-10-22)34-20(2)32/h3-18H,1-2H3/b17-11+,18-12+.
What are the key properties of [4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate?
[4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate has a molecular weight of 450.49 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate is sourced from PubChem (CID 22765476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).