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

C21H20N2O3 — CID 56600877

IUPAC(3Z,6Z)-3-benzylidene-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one
SMILESCOc1ccc(/C=c2/c(OC)n/c(=C\c3ccccc3)c(=O)n2C)cc1
InChIInChI=1S/C21H20N2O3/c1-23-19(14-16-9-11-17(25-2)12-10-16)20(26-3)22-18(21(23)24)13-15-7-5-4-6-8-15/h4-14H,1-3H3/b18-13-,19-14-
InChIKeyNCBOROGHSUXZPE-SXQSXHJWSA-N
MW348.40 g/mol
LogP1.46
Rot. Bonds4

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

(3Z,6Z)-3-benzylidene-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one (PubChem CID 56600877) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (3Z,6Z)-3-benzylidene-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name(3Z,6Z)-3-benzylidene-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one
PubChem CID56600877
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(3Z,6Z)-3-benzylidene-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one
SMILESCOc1ccc(/C=c2/c(OC)n/c(=C\c3ccccc3)c(=O)n2C)cc1
InChIInChI=1S/C21H20N2O3/c1-23-19(14-16-9-11-17(25-2)12-10-16)20(26-3)22-18(21(23)24)13-15-7-5-4-6-8-15/h4-14H,1-3H3/b18-13-,19-14-
InChIKeyNCBOROGHSUXZPE-SXQSXHJWSA-N
XLogP1.46
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-benzylidene-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one?
The IUPAC name of (3Z,6Z)-3-benzylidene-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one (CID 56600877) is (3Z,6Z)-3-benzylidene-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one.
What is the SMILES notation for (3Z,6Z)-3-benzylidene-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one?
The canonical SMILES for (3Z,6Z)-3-benzylidene-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one is COc1ccc(/C=c2/c(OC)n/c(=C\c3ccccc3)c(=O)n2C)cc1.
What is the InChIKey of (3Z,6Z)-3-benzylidene-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one?
The InChIKey is NCBOROGHSUXZPE-SXQSXHJWSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-23-19(14-16-9-11-17(25-2)12-10-16)20(26-3)22-18(21(23)24)13-15-7-5-4-6-8-15/h4-14H,1-3H3/b18-13-,19-14-.
What are the key properties of (3Z,6Z)-3-benzylidene-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one?
(3Z,6Z)-3-benzylidene-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one has a molecular weight of 348.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3-benzylidene-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one is sourced from PubChem (CID 56600877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).