methyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate

C22H20N2O4 — CID 169233543

IUPACmethyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cn(Cc2ccc(OC)cc2)c(=O)c(/C=C/c2ccccc2)n1
InChIInChI=1S/C22H20N2O4/c1-27-18-11-8-17(9-12-18)14-24-15-20(22(26)28-2)23-19(21(24)25)13-10-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3/b13-10+
InChIKeySYCCBFHBKXYLQK-JLHYYAGUSA-N
MW376.41 g/mol
LogP3.26
Rot. Bonds6

About methyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate

methyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate (PubChem CID 169233543) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate
PubChem CID169233543
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Namemethyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cn(Cc2ccc(OC)cc2)c(=O)c(/C=C/c2ccccc2)n1
InChIInChI=1S/C22H20N2O4/c1-27-18-11-8-17(9-12-18)14-24-15-20(22(26)28-2)23-19(21(24)25)13-10-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3/b13-10+
InChIKeySYCCBFHBKXYLQK-JLHYYAGUSA-N
XLogP3.26
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate with MolForge

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Related Compounds

methyl 1-benzyl-2-[(E)-2-phenylethenyl]imidazole-4-carboxylate
CID 154708456
methyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate
CID 154708613
methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate
CID 154942266
1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
CID 108903141
methyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate
CID 154708283
methyl 1-benzyl-5-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate
CID 145427559
(4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate
CID 4271861
4-amino-3-(4-methoxyanilino)-6-[(E)-2-phenylethenyl]-1,2,4-triazin-5-one
CID 56696535
methyl 4-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methyl-5-oxopyrazine-2-carboxylate
CID 170571454
[1-[(4-methoxyphenyl)methyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylimidazol-4-yl]methanol
CID 7621903
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 71921771
ethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate
CID 162684166

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate?
The IUPAC name of methyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate (CID 169233543) is methyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate is COC(=O)c1cn(Cc2ccc(OC)cc2)c(=O)c(/C=C/c2ccccc2)n1.
What is the InChIKey of methyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate?
The InChIKey is SYCCBFHBKXYLQK-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-27-18-11-8-17(9-12-18)14-24-15-20(22(26)28-2)23-19(21(24)25)13-10-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3/b13-10+.
What are the key properties of methyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate?
methyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate is sourced from PubChem (CID 169233543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).