2-[7-fluoro-3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid

C18H15FN2O4 — CID 118731565

IUPAC2-[7-fluoro-3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(CCc2ccc(O)cc2)nc2ccc(F)cc21
InChIInChI=1S/C18H15FN2O4/c19-12-4-8-14-16(9-12)21(10-17(23)24)18(25)15(20-14)7-3-11-1-5-13(22)6-2-11/h1-2,4-6,8-9,22H,3,7,10H2,(H,23,24)
InChIKeyAOQAGJAWFJZABS-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.11
Rot. Bonds5

About 2-[7-fluoro-3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid

2-[7-fluoro-3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid (PubChem CID 118731565) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-[7-fluoro-3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[7-fluoro-3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid
PubChem CID118731565
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name2-[7-fluoro-3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(CCc2ccc(O)cc2)nc2ccc(F)cc21
InChIInChI=1S/C18H15FN2O4/c19-12-4-8-14-16(9-12)21(10-17(23)24)18(25)15(20-14)7-3-11-1-5-13(22)6-2-11/h1-2,4-6,8-9,22H,3,7,10H2,(H,23,24)
InChIKeyAOQAGJAWFJZABS-UHFFFAOYSA-N
XLogP2.11
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid?
The IUPAC name of 2-[7-fluoro-3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid (CID 118731565) is 2-[7-fluoro-3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid.
What is the SMILES notation for 2-[7-fluoro-3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid?
The canonical SMILES for 2-[7-fluoro-3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid is O=C(O)Cn1c(=O)c(CCc2ccc(O)cc2)nc2ccc(F)cc21.
What is the InChIKey of 2-[7-fluoro-3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid?
The InChIKey is AOQAGJAWFJZABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c19-12-4-8-14-16(9-12)21(10-17(23)24)18(25)15(20-14)7-3-11-1-5-13(22)6-2-11/h1-2,4-6,8-9,22H,3,7,10H2,(H,23,24).
What are the key properties of 2-[7-fluoro-3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid?
2-[7-fluoro-3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid has a molecular weight of 342.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid is sourced from PubChem (CID 118731565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).