(3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one

C21H20N2O4 — CID 132571700

IUPAC(3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one
SMILESCOc1ccc(/C=c2/c(OC)n/c(=C\c3ccc(O)cc3)c(=O)n2C)cc1
InChIInChI=1S/C21H20N2O4/c1-23-19(13-15-6-10-17(26-2)11-7-15)20(27-3)22-18(21(23)25)12-14-4-8-16(24)9-5-14/h4-13,24H,1-3H3/b18-12-,19-13-
InChIKeyHRMZDSPJGINLAD-BKHHGCLFSA-N
MW364.40 g/mol
LogP1.16
Rot. Bonds4

About (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one

(3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one (PubChem CID 132571700) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name(3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one
PubChem CID132571700
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name(3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one
SMILESCOc1ccc(/C=c2/c(OC)n/c(=C\c3ccc(O)cc3)c(=O)n2C)cc1
InChIInChI=1S/C21H20N2O4/c1-23-19(13-15-6-10-17(26-2)11-7-15)20(27-3)22-18(21(23)25)12-14-4-8-16(24)9-5-14/h4-13,24H,1-3H3/b18-12-,19-13-
InChIKeyHRMZDSPJGINLAD-BKHHGCLFSA-N
XLogP1.16
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-dibenzylidene-1-methyl-5-propan-2-yloxypyrazin-2-one
CID 54131739
3,6-dibenzylidene-5-but-3-enoxy-1-methylpyrazin-2-one
CID 67648386
methane;4-methoxyphenol
CID 159494332
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one
CID 91203931
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740
(3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione
CID 67578568
2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 578349
(2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 6389539
2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile
CID 85101046
cyanic acid;4-methoxyphenol
CID 172812844
5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one
CID 1275583
N-(4-hydroxyphenyl)-4-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
CID 1356906

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one?
The IUPAC name of (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one (CID 132571700) is (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one.
What is the SMILES notation for (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one?
The canonical SMILES for (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one is COc1ccc(/C=c2/c(OC)n/c(=C\c3ccc(O)cc3)c(=O)n2C)cc1.
What is the InChIKey of (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one?
The InChIKey is HRMZDSPJGINLAD-BKHHGCLFSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-23-19(13-15-6-10-17(26-2)11-7-15)20(27-3)22-18(21(23)25)12-14-4-8-16(24)9-5-14/h4-13,24H,1-3H3/b18-12-,19-13-.
What are the key properties of (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one?
(3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one has a molecular weight of 364.40 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one is sourced from PubChem (CID 132571700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).