[4-[2-(3-chloroquinoxalin-2-yl)ethenyl]phenyl] acetate

C18H13ClN2O2 — CID 3843916

IUPAC[4-[2-(3-chloroquinoxalin-2-yl)ethenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C=Cc2nc3ccccc3nc2Cl)cc1
InChIInChI=1S/C18H13ClN2O2/c1-12(22)23-14-9-6-13(7-10-14)8-11-17-18(19)21-16-5-3-2-4-15(16)20-17/h2-11H,1H3
InChIKeySNJRQWUFFBZRRS-UHFFFAOYSA-N
MW324.77 g/mol
LogP4.38
Rot. Bonds3

About [4-[2-(3-chloroquinoxalin-2-yl)ethenyl]phenyl] acetate

[4-[2-(3-chloroquinoxalin-2-yl)ethenyl]phenyl] acetate (PubChem CID 3843916) has the molecular formula C18H13ClN2O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is [4-[2-(3-chloroquinoxalin-2-yl)ethenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[2-(3-chloroquinoxalin-2-yl)ethenyl]phenyl] acetate
PubChem CID3843916
Molecular FormulaC18H13ClN2O2
Molecular Weight324.77 g/mol
Exact Mass324.07
IUPAC Name[4-[2-(3-chloroquinoxalin-2-yl)ethenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C=Cc2nc3ccccc3nc2Cl)cc1
InChIInChI=1S/C18H13ClN2O2/c1-12(22)23-14-9-6-13(7-10-14)8-11-17-18(19)21-16-5-3-2-4-15(16)20-17/h2-11H,1H3
InChIKeySNJRQWUFFBZRRS-UHFFFAOYSA-N
XLogP4.38
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate
CID 22765476
2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline
CID 70309974
[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenyl] acetate
CID 135590193
[4-[(E)-3-chloroprop-1-enyl]phenyl] acetate
CID 22770523
[4-[2-[3,5,6-tris[2-(4-benzoyloxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl] benzoate
CID 54020846
tetrakis([4-[5-(4-acetyloxyphenyl)-3-oxopenta-1,4-dienyl]phenyl] acetate);bis(palladium)
CID 173130070
ethyl (2S)-2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxy-2-phenylacetate
CID 124551509
[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-chloroquinolin-3-yl) acetate
CID 175423972
[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate
CID 155042421
[4-[2-(2-nitrophenyl)ethenyl]phenyl] acetate
CID 66627035

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-chloroquinoxalin-2-yl)ethenyl]phenyl] acetate?
The IUPAC name of [4-[2-(3-chloroquinoxalin-2-yl)ethenyl]phenyl] acetate (CID 3843916) is [4-[2-(3-chloroquinoxalin-2-yl)ethenyl]phenyl] acetate.
What is the SMILES notation for [4-[2-(3-chloroquinoxalin-2-yl)ethenyl]phenyl] acetate?
The canonical SMILES for [4-[2-(3-chloroquinoxalin-2-yl)ethenyl]phenyl] acetate is CC(=O)Oc1ccc(C=Cc2nc3ccccc3nc2Cl)cc1.
What is the InChIKey of [4-[2-(3-chloroquinoxalin-2-yl)ethenyl]phenyl] acetate?
The InChIKey is SNJRQWUFFBZRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2/c1-12(22)23-14-9-6-13(7-10-14)8-11-17-18(19)21-16-5-3-2-4-15(16)20-17/h2-11H,1H3.
What are the key properties of [4-[2-(3-chloroquinoxalin-2-yl)ethenyl]phenyl] acetate?
[4-[2-(3-chloroquinoxalin-2-yl)ethenyl]phenyl] acetate has a molecular weight of 324.77 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-chloroquinoxalin-2-yl)ethenyl]phenyl] acetate is sourced from PubChem (CID 3843916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).