ethyl (2S)-2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxy-2-phenylacetate

C27H24N2O4 — CID 124551509

IUPACethyl (2S)-2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxy-2-phenylacetate
SMILESCCOC(=O)[C@@H](Oc1nc2ccccc2nc1/C=C/c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C27H24N2O4/c1-3-32-27(30)25(20-9-5-4-6-10-20)33-26-24(28-22-11-7-8-12-23(22)29-26)18-15-19-13-16-21(31-2)17-14-19/h4-18,25H,3H2,1-2H3/b18-15+/t25-/m0/s1
InChIKeyUQURDOWIBQJHNM-XPGGBCAFSA-N
MW440.50 g/mol
LogP5.49
Rot. Bonds8

About ethyl (2S)-2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxy-2-phenylacetate

ethyl (2S)-2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxy-2-phenylacetate (PubChem CID 124551509) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is ethyl (2S)-2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxy-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2S)-2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxy-2-phenylacetate
PubChem CID124551509
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Nameethyl (2S)-2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxy-2-phenylacetate
SMILESCCOC(=O)[C@@H](Oc1nc2ccccc2nc1/C=C/c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C27H24N2O4/c1-3-32-27(30)25(20-9-5-4-6-10-20)33-26-24(28-22-11-7-8-12-23(22)29-26)18-15-19-13-16-21(31-2)17-14-19/h4-18,25H,3H2,1-2H3/b18-15+/t25-/m0/s1
InChIKeyUQURDOWIBQJHNM-XPGGBCAFSA-N
XLogP5.49
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline
CID 70309974
ethyl 2-(3-methoxyphenoxy)-2-phenylacetate
CID 117065644
1-(3,4-dimethylphenyl)-2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxyethanone
CID 5294603
ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate
CID 101380473
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
[4-[2-(3-chloroquinoxalin-2-yl)ethenyl]phenyl] acetate
CID 3843916
anisole;ethyl 2-methylpropanoate
CID 177064087
[4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate
CID 22765476
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate
CID 106676827
ethyl 6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenylquinoline-3-carboxylate
CID 102393462

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxy-2-phenylacetate?
The IUPAC name of ethyl (2S)-2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxy-2-phenylacetate (CID 124551509) is ethyl (2S)-2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxy-2-phenylacetate.
What is the SMILES notation for ethyl (2S)-2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxy-2-phenylacetate?
The canonical SMILES for ethyl (2S)-2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxy-2-phenylacetate is CCOC(=O)[C@@H](Oc1nc2ccccc2nc1/C=C/c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of ethyl (2S)-2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxy-2-phenylacetate?
The InChIKey is UQURDOWIBQJHNM-XPGGBCAFSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-3-32-27(30)25(20-9-5-4-6-10-20)33-26-24(28-22-11-7-8-12-23(22)29-26)18-15-19-13-16-21(31-2)17-14-19/h4-18,25H,3H2,1-2H3/b18-15+/t25-/m0/s1.
What are the key properties of ethyl (2S)-2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxy-2-phenylacetate?
ethyl (2S)-2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxy-2-phenylacetate has a molecular weight of 440.50 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxy-2-phenylacetate is sourced from PubChem (CID 124551509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).