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

C20H18N2O4 — CID 132571699

IUPAC(3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]pyrazin-2-one
SMILESCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(O)cc3)nc2OC)cc1
InChIInChI=1S/C20H18N2O4/c1-25-16-9-5-14(6-10-16)12-18-20(26-2)22-17(19(24)21-18)11-13-3-7-15(23)8-4-13/h3-12,23H,1-2H3,(H,21,24)/b17-11-,18-12-
InChIKeySNSZPOPKOYKHDP-WHYMJUELSA-N
MW350.37 g/mol
LogP1.15
Rot. Bonds4

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

(3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]pyrazin-2-one (PubChem CID 132571699) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]pyrazin-2-one.

Molecular Properties

Compound Name(3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]pyrazin-2-one
PubChem CID132571699
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]pyrazin-2-one
SMILESCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(O)cc3)nc2OC)cc1
InChIInChI=1S/C20H18N2O4/c1-25-16-9-5-14(6-10-16)12-18-20(26-2)22-17(19(24)21-18)11-13-3-7-15(23)8-4-13/h3-12,23H,1-2H3,(H,21,24)/b17-11-,18-12-
InChIKeySNSZPOPKOYKHDP-WHYMJUELSA-N
XLogP1.15
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]pyrazin-2-one with MolForge

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Related Compounds

N,N'-((1Z,3Z)-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-diene-2,3-diyl)diformamide
CID 53387667
XR 1853
CID 6439506
N-[2-(4-methoxyphenyl)-1-(4-morpholinylcarbonyl)vinyl]-3-phenylacrylamide
CID 1327321
2-(Cinnamoylamino)-3-(4-methoxyphenyl)acrylic acid
CID 5735319
Nocazine A
CID 56600876
Nocazine B
CID 56600877
(3Z,6Z)-3,6-bis[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 1729847
XR 334
CID 9797139
XR-330
CID 9819057
3-Benzylidene-6-[(4-methoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione
CID 54129504
(3Z,6Z)-3-[(4-Methoxyphenyl)methylene]-6-(phenylmethylene)-2,5-piperazinedione
CID 54236253
2,5-Piperazinedione, 3,6-bis-(2-methoxybenzylidene)
CID 5437711

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]pyrazin-2-one?
The IUPAC name of (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]pyrazin-2-one (CID 132571699) is (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]pyrazin-2-one.
What is the SMILES notation for (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]pyrazin-2-one?
The canonical SMILES for (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]pyrazin-2-one is COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(O)cc3)nc2OC)cc1.
What is the InChIKey of (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]pyrazin-2-one?
The InChIKey is SNSZPOPKOYKHDP-WHYMJUELSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-25-16-9-5-14(6-10-16)12-18-20(26-2)22-17(19(24)21-18)11-13-3-7-15(23)8-4-13/h3-12,23H,1-2H3,(H,21,24)/b17-11-,18-12-.
What are the key properties of (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]pyrazin-2-one?
(3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]pyrazin-2-one has a molecular weight of 350.37 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]pyrazin-2-one is sourced from PubChem (CID 132571699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).