1-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]ethanone

C21H21N3O5 — CID 24879531

IUPAC1-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]ethanone
SMILESCOc1cc(Nc2cncc(Oc3ccc(C(C)=O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C21H21N3O5/c1-13(25)14-5-7-16(8-6-14)29-20-12-22-11-19(24-20)23-15-9-17(26-2)21(28-4)18(10-15)27-3/h5-12H,1-4H3,(H,23,24)
InChIKeyXUWADPNJQFVSNJ-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.24
Rot. Bonds8

About 1-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]ethanone

1-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]ethanone (PubChem CID 24879531) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 1-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]ethanone
PubChem CID24879531
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name1-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]ethanone
SMILESCOc1cc(Nc2cncc(Oc3ccc(C(C)=O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C21H21N3O5/c1-13(25)14-5-7-16(8-6-14)29-20-12-22-11-19(24-20)23-15-9-17(26-2)21(28-4)18(10-15)27-3/h5-12H,1-4H3,(H,23,24)
InChIKeyXUWADPNJQFVSNJ-UHFFFAOYSA-N
XLogP4.24
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]ethanone?
The IUPAC name of 1-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]ethanone (CID 24879531) is 1-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]ethanone?
The canonical SMILES for 1-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]ethanone is COc1cc(Nc2cncc(Oc3ccc(C(C)=O)cc3)n2)cc(OC)c1OC.
What is the InChIKey of 1-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]ethanone?
The InChIKey is XUWADPNJQFVSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-13(25)14-5-7-16(8-6-14)29-20-12-22-11-19(24-20)23-15-9-17(26-2)21(28-4)18(10-15)27-3/h5-12H,1-4H3,(H,23,24).
What are the key properties of 1-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]ethanone?
1-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]ethanone has a molecular weight of 395.42 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]ethanone is sourced from PubChem (CID 24879531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).