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

C22H22N2O4 — CID 56600876

IUPAC(3Z,6Z)-5-methoxy-3,6-bis[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one
SMILESCOc1ccc(/C=c2\nc(OC)/c(=C/c3ccc(OC)cc3)n(C)c2=O)cc1
InChIInChI=1S/C22H22N2O4/c1-24-20(14-16-7-11-18(27-3)12-8-16)21(28-4)23-19(22(24)25)13-15-5-9-17(26-2)10-6-15/h5-14H,1-4H3/b19-13-,20-14-
InChIKeyPIZYGUXDBZYKHO-AXPXABNXSA-N
MW378.43 g/mol
LogP1.46
Rot. Bonds5

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

(3Z,6Z)-5-methoxy-3,6-bis[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one (PubChem CID 56600876) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (3Z,6Z)-5-methoxy-3,6-bis[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name(3Z,6Z)-5-methoxy-3,6-bis[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one
PubChem CID56600876
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name(3Z,6Z)-5-methoxy-3,6-bis[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one
SMILESCOc1ccc(/C=c2\nc(OC)/c(=C/c3ccc(OC)cc3)n(C)c2=O)cc1
InChIInChI=1S/C22H22N2O4/c1-24-20(14-16-7-11-18(27-3)12-8-16)21(28-4)23-19(22(24)25)13-15-5-9-17(26-2)10-6-15/h5-14H,1-4H3/b19-13-,20-14-
InChIKeyPIZYGUXDBZYKHO-AXPXABNXSA-N
XLogP1.46
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-5-methoxy-3,6-bis[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one?
The IUPAC name of (3Z,6Z)-5-methoxy-3,6-bis[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one (CID 56600876) is (3Z,6Z)-5-methoxy-3,6-bis[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one.
What is the SMILES notation for (3Z,6Z)-5-methoxy-3,6-bis[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one?
The canonical SMILES for (3Z,6Z)-5-methoxy-3,6-bis[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one is COc1ccc(/C=c2\nc(OC)/c(=C/c3ccc(OC)cc3)n(C)c2=O)cc1.
What is the InChIKey of (3Z,6Z)-5-methoxy-3,6-bis[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one?
The InChIKey is PIZYGUXDBZYKHO-AXPXABNXSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-24-20(14-16-7-11-18(27-3)12-8-16)21(28-4)23-19(22(24)25)13-15-5-9-17(26-2)10-6-15/h5-14H,1-4H3/b19-13-,20-14-.
What are the key properties of (3Z,6Z)-5-methoxy-3,6-bis[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one?
(3Z,6Z)-5-methoxy-3,6-bis[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one has a molecular weight of 378.43 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-5-methoxy-3,6-bis[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one is sourced from PubChem (CID 56600876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).