2-(4-fluorophenoxy)ethyl quinoxaline-6-carboxylate

C17H13FN2O3 — CID 7676619

IUPAC2-(4-fluorophenoxy)ethyl quinoxaline-6-carboxylate
SMILESO=C(OCCOc1ccc(F)cc1)c1ccc2nccnc2c1
InChIInChI=1S/C17H13FN2O3/c18-13-2-4-14(5-3-13)22-9-10-23-17(21)12-1-6-15-16(11-12)20-8-7-19-15/h1-8,11H,9-10H2
InChIKeyZPXPAEFNESEXTD-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.00
Rot. Bonds5

About 2-(4-fluorophenoxy)ethyl quinoxaline-6-carboxylate

2-(4-fluorophenoxy)ethyl quinoxaline-6-carboxylate (PubChem CID 7676619) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)ethyl quinoxaline-6-carboxylate.

Molecular Properties

Compound Name2-(4-fluorophenoxy)ethyl quinoxaline-6-carboxylate
PubChem CID7676619
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name2-(4-fluorophenoxy)ethyl quinoxaline-6-carboxylate
SMILESO=C(OCCOc1ccc(F)cc1)c1ccc2nccnc2c1
InChIInChI=1S/C17H13FN2O3/c18-13-2-4-14(5-3-13)22-9-10-23-17(21)12-1-6-15-16(11-12)20-8-7-19-15/h1-8,11H,9-10H2
InChIKeyZPXPAEFNESEXTD-UHFFFAOYSA-N
XLogP3.00
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)ethyl quinoxaline-6-carboxylate?
The IUPAC name of 2-(4-fluorophenoxy)ethyl quinoxaline-6-carboxylate (CID 7676619) is 2-(4-fluorophenoxy)ethyl quinoxaline-6-carboxylate.
What is the SMILES notation for 2-(4-fluorophenoxy)ethyl quinoxaline-6-carboxylate?
The canonical SMILES for 2-(4-fluorophenoxy)ethyl quinoxaline-6-carboxylate is O=C(OCCOc1ccc(F)cc1)c1ccc2nccnc2c1.
What is the InChIKey of 2-(4-fluorophenoxy)ethyl quinoxaline-6-carboxylate?
The InChIKey is ZPXPAEFNESEXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c18-13-2-4-14(5-3-13)22-9-10-23-17(21)12-1-6-15-16(11-12)20-8-7-19-15/h1-8,11H,9-10H2.
What are the key properties of 2-(4-fluorophenoxy)ethyl quinoxaline-6-carboxylate?
2-(4-fluorophenoxy)ethyl quinoxaline-6-carboxylate has a molecular weight of 312.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)ethyl quinoxaline-6-carboxylate is sourced from PubChem (CID 7676619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).