2-[4-(7-fluoroquinoxalin-2-yl)oxyphenoxy]propanoic acid

C17H13FN2O4 — CID 24843442

IUPAC2-[4-(7-fluoroquinoxalin-2-yl)oxyphenoxy]propanoic acid
SMILESCC(Oc1ccc(Oc2cnc3ccc(F)cc3n2)cc1)C(=O)O
InChIInChI=1S/C17H13FN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-14-7-2-11(18)8-15(14)20-16/h2-10H,1H3,(H,21,22)
InChIKeyJURFDHMTQBFGLL-UHFFFAOYSA-N
MW328.30 g/mol
LogP3.41
Rot. Bonds5

About 2-[4-(7-fluoroquinoxalin-2-yl)oxyphenoxy]propanoic acid

2-[4-(7-fluoroquinoxalin-2-yl)oxyphenoxy]propanoic acid (PubChem CID 24843442) has the molecular formula C17H13FN2O4 and a molecular weight of 328.30 g/mol. Its IUPAC name is 2-[4-(7-fluoroquinoxalin-2-yl)oxyphenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-(7-fluoroquinoxalin-2-yl)oxyphenoxy]propanoic acid
PubChem CID24843442
Molecular FormulaC17H13FN2O4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name2-[4-(7-fluoroquinoxalin-2-yl)oxyphenoxy]propanoic acid
SMILESCC(Oc1ccc(Oc2cnc3ccc(F)cc3n2)cc1)C(=O)O
InChIInChI=1S/C17H13FN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-14-7-2-11(18)8-15(14)20-16/h2-10H,1H3,(H,21,22)
InChIKeyJURFDHMTQBFGLL-UHFFFAOYSA-N
XLogP3.41
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 53518
CID 53518
CID 178795
CID 178795
CID 1617113
CID 1617113
CID 16213016
CID 16213016
CID 5484172
CID 5484172
CID 14601092
CID 14601092
CID 86175
CID 86175
CID 86122
CID 86122
CID 157156
CID 157156
CID 92418
CID 92418
CID 11957724
CID 11957724
CID 23675947
CID 23675947

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-fluoroquinoxalin-2-yl)oxyphenoxy]propanoic acid?
The IUPAC name of 2-[4-(7-fluoroquinoxalin-2-yl)oxyphenoxy]propanoic acid (CID 24843442) is 2-[4-(7-fluoroquinoxalin-2-yl)oxyphenoxy]propanoic acid.
What is the SMILES notation for 2-[4-(7-fluoroquinoxalin-2-yl)oxyphenoxy]propanoic acid?
The canonical SMILES for 2-[4-(7-fluoroquinoxalin-2-yl)oxyphenoxy]propanoic acid is CC(Oc1ccc(Oc2cnc3ccc(F)cc3n2)cc1)C(=O)O.
What is the InChIKey of 2-[4-(7-fluoroquinoxalin-2-yl)oxyphenoxy]propanoic acid?
The InChIKey is JURFDHMTQBFGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-14-7-2-11(18)8-15(14)20-16/h2-10H,1H3,(H,21,22).
What are the key properties of 2-[4-(7-fluoroquinoxalin-2-yl)oxyphenoxy]propanoic acid?
2-[4-(7-fluoroquinoxalin-2-yl)oxyphenoxy]propanoic acid has a molecular weight of 328.30 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-fluoroquinoxalin-2-yl)oxyphenoxy]propanoic acid is sourced from PubChem (CID 24843442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).