1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one

C16H13FN2O2 — CID 2525579

IUPAC1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1CCOc1ccc(F)cc1
InChIInChI=1S/C16H13FN2O2/c17-12-5-7-13(8-6-12)21-10-9-19-15-4-2-1-3-14(15)18-11-16(19)20/h1-8,11H,9-10H2
InChIKeyVRZHIFOJIKNINS-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.61
Rot. Bonds4

About 1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one

1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one (PubChem CID 2525579) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one
PubChem CID2525579
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1CCOc1ccc(F)cc1
InChIInChI=1S/C16H13FN2O2/c17-12-5-7-13(8-6-12)21-10-9-19-15-4-2-1-3-14(15)18-11-16(19)20/h1-8,11H,9-10H2
InChIKeyVRZHIFOJIKNINS-UHFFFAOYSA-N
XLogP2.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one (CID 2525579) is 1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one is O=c1cnc2ccccc2n1CCOc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one?
The InChIKey is VRZHIFOJIKNINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-12-5-7-13(8-6-12)21-10-9-19-15-4-2-1-3-14(15)18-11-16(19)20/h1-8,11H,9-10H2.
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one?
1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one has a molecular weight of 284.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one is sourced from PubChem (CID 2525579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).