N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-fluorophenyl)acetamide

C26H24FN3O5 — CID 50793043

IUPACN-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(Oc2cc3c(cc2NC(=O)Cc2ccc(F)cc2)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C26H24FN3O5/c1-4-34-18-9-11-19(12-10-18)35-23-15-22-21(29(2)25(32)26(33)30(22)3)14-20(23)28-24(31)13-16-5-7-17(27)8-6-16/h5-12,14-15H,4,13H2,1-3H3,(H,28,31)
InChIKeyZGYXWVWJRWOKQZ-UHFFFAOYSA-N
MW477.49 g/mol
LogP3.75
Rot. Bonds7

About N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-fluorophenyl)acetamide

N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 50793043) has the molecular formula C26H24FN3O5 and a molecular weight of 477.49 g/mol. Its IUPAC name is N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-fluorophenyl)acetamide
PubChem CID50793043
Molecular FormulaC26H24FN3O5
Molecular Weight477.49 g/mol
Exact Mass477.17
IUPAC NameN-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(Oc2cc3c(cc2NC(=O)Cc2ccc(F)cc2)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C26H24FN3O5/c1-4-34-18-9-11-19(12-10-18)35-23-15-22-21(29(2)25(32)26(33)30(22)3)14-20(23)28-24(31)13-16-5-7-17(27)8-6-16/h5-12,14-15H,4,13H2,1-3H3,(H,28,31)
InChIKeyZGYXWVWJRWOKQZ-UHFFFAOYSA-N
XLogP3.75
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-fluorophenyl)acetamide (CID 50793043) is N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-fluorophenyl)acetamide is CCOc1ccc(Oc2cc3c(cc2NC(=O)Cc2ccc(F)cc2)n(C)c(=O)c(=O)n3C)cc1.
What is the InChIKey of N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is ZGYXWVWJRWOKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O5/c1-4-34-18-9-11-19(12-10-18)35-23-15-22-21(29(2)25(32)26(33)30(22)3)14-20(23)28-24(31)13-16-5-7-17(27)8-6-16/h5-12,14-15H,4,13H2,1-3H3,(H,28,31).
What are the key properties of N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-fluorophenyl)acetamide?
N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 477.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 50793043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).