1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione

C20H17FN2O4 — CID 30565230

IUPAC1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
SMILESCCOc1ccc(-n2ccn(CC(=O)c3ccc(F)cc3)c(=O)c2=O)cc1
InChIInChI=1S/C20H17FN2O4/c1-2-27-17-9-7-16(8-10-17)23-12-11-22(19(25)20(23)26)13-18(24)14-3-5-15(21)6-4-14/h3-12H,2,13H2,1H3
InChIKeyKQWDGLQBOOLRNX-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.42
Rot. Bonds6

About 1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione

1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione (PubChem CID 30565230) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
PubChem CID30565230
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
SMILESCCOc1ccc(-n2ccn(CC(=O)c3ccc(F)cc3)c(=O)c2=O)cc1
InChIInChI=1S/C20H17FN2O4/c1-2-27-17-9-7-16(8-10-17)23-12-11-22(19(25)20(23)26)13-18(24)14-3-5-15(21)6-4-14/h3-12H,2,13H2,1H3
InChIKeyKQWDGLQBOOLRNX-UHFFFAOYSA-N
XLogP2.42
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-fluorophenyl)-2-oxoethyl]-4-phenylpyrazine-2,3-dione
CID 6625633
1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 30565239
1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
CID 62928915
1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62024838
1-(4-ethoxyphenyl)-4-prop-2-enylpyrazine-2,3-dione
CID 7286919
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 30564683
1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 7286860
1-[(3,4-difluorophenyl)methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione
CID 95917552
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide
CID 51369913
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 50928766
N-(3-chlorophenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 30565937
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 50928754

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione (CID 30565230) is 1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione is CCOc1ccc(-n2ccn(CC(=O)c3ccc(F)cc3)c(=O)c2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione?
The InChIKey is KQWDGLQBOOLRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-2-27-17-9-7-16(8-10-17)23-12-11-22(19(25)20(23)26)13-18(24)14-3-5-15(21)6-4-14/h3-12H,2,13H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione?
1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione has a molecular weight of 368.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione is sourced from PubChem (CID 30565230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).