2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]ethyl propanoate

C19H17FN2O4 — CID 151905720

IUPAC2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]ethyl propanoate
SMILESCCC(=O)OCCOc1ccc(Oc2cnc3cc(F)ccc3n2)cc1
InChIInChI=1S/C19H17FN2O4/c1-2-19(23)25-10-9-24-14-4-6-15(7-5-14)26-18-12-21-17-11-13(20)3-8-16(17)22-18/h3-8,11-12H,2,9-10H2,1H3
InChIKeySTRRJYFEEAAMJN-UHFFFAOYSA-N
MW356.35 g/mol
LogP3.89
Rot. Bonds7

About 2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]ethyl propanoate

2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]ethyl propanoate (PubChem CID 151905720) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]ethyl propanoate.

Molecular Properties

Compound Name2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]ethyl propanoate
PubChem CID151905720
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]ethyl propanoate
SMILESCCC(=O)OCCOc1ccc(Oc2cnc3cc(F)ccc3n2)cc1
InChIInChI=1S/C19H17FN2O4/c1-2-19(23)25-10-9-24-14-4-6-15(7-5-14)26-18-12-21-17-11-13(20)3-8-16(17)22-18/h3-8,11-12H,2,9-10H2,1H3
InChIKeySTRRJYFEEAAMJN-UHFFFAOYSA-N
XLogP3.89
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]acetate
CID 21270694
2-(6-chloroquinoxalin-2-yl)oxyethyl propanoate
CID 175100340
4-[2-ethyl-5-(6-fluoroquinoxalin-2-yl)oxyphenyl]tricyclo[5.2.2.02,6]undecane-3,5-dione
CID 90789385
2-(6-fluoroquinoxalin-2-yl)oxyphenol
CID 13328505
(3-fluorophenyl)methyl 4-(6-chloroquinoxalin-2-yl)oxybenzoate
CID 175252031
propyl 2-[4-(6-fluoroquinolin-2-yl)oxyphenoxy]propanoate
CID 12882387
methyl 4-(2-propanoyloxyethoxy)benzoate
CID 59386419
2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride
CID 86740146
2-[2-(4-propan-2-yloxyphenoxy)quinoxalin-6-yl]ethanol
CID 91161860
2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8787743
ethyl 4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenoxy]butanoate
CID 103597145
2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate
CID 23325154

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]ethyl propanoate?
The IUPAC name of 2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]ethyl propanoate (CID 151905720) is 2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]ethyl propanoate.
What is the SMILES notation for 2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]ethyl propanoate?
The canonical SMILES for 2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]ethyl propanoate is CCC(=O)OCCOc1ccc(Oc2cnc3cc(F)ccc3n2)cc1.
What is the InChIKey of 2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]ethyl propanoate?
The InChIKey is STRRJYFEEAAMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-2-19(23)25-10-9-24-14-4-6-15(7-5-14)26-18-12-21-17-11-13(20)3-8-16(17)22-18/h3-8,11-12H,2,9-10H2,1H3.
What are the key properties of 2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]ethyl propanoate?
2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]ethyl propanoate has a molecular weight of 356.35 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]ethyl propanoate is sourced from PubChem (CID 151905720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).