2-[3-(3,5-dihydroxyphenoxy)-6-fluoro-2-oxoquinoxalin-1-yl]acetic acid

C16H11FN2O6 — CID 122187409

IUPAC2-[3-(3,5-dihydroxyphenoxy)-6-fluoro-2-oxoquinoxalin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(Oc2cc(O)cc(O)c2)nc2cc(F)ccc21
InChIInChI=1S/C16H11FN2O6/c17-8-1-2-13-12(3-8)18-15(16(24)19(13)7-14(22)23)25-11-5-9(20)4-10(21)6-11/h1-6,20-21H,7H2,(H,22,23)
InChIKeyAUGCKKICTDULAV-UHFFFAOYSA-N
MW346.27 g/mol
LogP1.82
Rot. Bonds4

About 2-[3-(3,5-dihydroxyphenoxy)-6-fluoro-2-oxoquinoxalin-1-yl]acetic acid

2-[3-(3,5-dihydroxyphenoxy)-6-fluoro-2-oxoquinoxalin-1-yl]acetic acid (PubChem CID 122187409) has the molecular formula C16H11FN2O6 and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-[3-(3,5-dihydroxyphenoxy)-6-fluoro-2-oxoquinoxalin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3,5-dihydroxyphenoxy)-6-fluoro-2-oxoquinoxalin-1-yl]acetic acid
PubChem CID122187409
Molecular FormulaC16H11FN2O6
Molecular Weight346.27 g/mol
Exact Mass346.06
IUPAC Name2-[3-(3,5-dihydroxyphenoxy)-6-fluoro-2-oxoquinoxalin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(Oc2cc(O)cc(O)c2)nc2cc(F)ccc21
InChIInChI=1S/C16H11FN2O6/c17-8-1-2-13-12(3-8)18-15(16(24)19(13)7-14(22)23)25-11-5-9(20)4-10(21)6-11/h1-6,20-21H,7H2,(H,22,23)
InChIKeyAUGCKKICTDULAV-UHFFFAOYSA-N
XLogP1.82
TPSA121.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid
CID 124926342
2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid
CID 82310896
2-[6-chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
CID 136961587
2-[2-(5-ethoxy-5-oxopentyl)sulfanyl-5-fluorobenzimidazol-1-yl]acetic acid
CID 11710112
3-[5-fluoro-1-(2-methylpropyl)benzimidazol-2-yl]propanoic acid
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2-[5-acetyl-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]acetic acid
CID 82142196
2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903731
2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)acetic acid
CID 70648615
methyl 3-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]propanoate
CID 61295205
2-[5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 43661349
1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone
CID 22477945
2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903729

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dihydroxyphenoxy)-6-fluoro-2-oxoquinoxalin-1-yl]acetic acid?
The IUPAC name of 2-[3-(3,5-dihydroxyphenoxy)-6-fluoro-2-oxoquinoxalin-1-yl]acetic acid (CID 122187409) is 2-[3-(3,5-dihydroxyphenoxy)-6-fluoro-2-oxoquinoxalin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(3,5-dihydroxyphenoxy)-6-fluoro-2-oxoquinoxalin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(3,5-dihydroxyphenoxy)-6-fluoro-2-oxoquinoxalin-1-yl]acetic acid is O=C(O)Cn1c(=O)c(Oc2cc(O)cc(O)c2)nc2cc(F)ccc21.
What is the InChIKey of 2-[3-(3,5-dihydroxyphenoxy)-6-fluoro-2-oxoquinoxalin-1-yl]acetic acid?
The InChIKey is AUGCKKICTDULAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O6/c17-8-1-2-13-12(3-8)18-15(16(24)19(13)7-14(22)23)25-11-5-9(20)4-10(21)6-11/h1-6,20-21H,7H2,(H,22,23).
What are the key properties of 2-[3-(3,5-dihydroxyphenoxy)-6-fluoro-2-oxoquinoxalin-1-yl]acetic acid?
2-[3-(3,5-dihydroxyphenoxy)-6-fluoro-2-oxoquinoxalin-1-yl]acetic acid has a molecular weight of 346.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dihydroxyphenoxy)-6-fluoro-2-oxoquinoxalin-1-yl]acetic acid is sourced from PubChem (CID 122187409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).