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

C16H12N2O4 — CID 136961584

IUPAC2-[3-(4-hydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(-c2ccc(O)cc2)nc2ccccc21
InChIInChI=1S/C16H12N2O4/c19-11-7-5-10(6-8-11)15-16(22)18(9-14(20)21)13-4-2-1-3-12(13)17-15/h1-8,19H,9H2,(H,20,21)
InChIKeySYXNJMUYDHONBY-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.85
Rot. Bonds3

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

2-[3-(4-hydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid (PubChem CID 136961584) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
PubChem CID136961584
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name2-[3-(4-hydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(-c2ccc(O)cc2)nc2ccccc21
InChIInChI=1S/C16H12N2O4/c19-11-7-5-10(6-8-11)15-16(22)18(9-14(20)21)13-4-2-1-3-12(13)17-15/h1-8,19H,9H2,(H,20,21)
InChIKeySYXNJMUYDHONBY-UHFFFAOYSA-N
XLogP1.85
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[2-(4-Hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid
CID 118731564
2-[7-Fluoro-3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid
CID 118731565
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136961529
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 136961530
2-[3-(2,4-Dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
CID 136961585
2-[3-(2,4-Dihydroxyphenyl)-6-fluoro-2-oxoquinoxalin-1-yl]acetic acid
CID 136961586
2-[6-Chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
CID 136961587
2-[6-Bromo-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
CID 136961588
2-[3-(2,4-Dihydroxyphenyl)-7-fluoro-2-oxoquinoxalin-1-yl]acetic acid
CID 136961589
2-[7-Chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
CID 136961590
2-[7-Bromo-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
CID 136961591
2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid
CID 136961595

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid?
The IUPAC name of 2-[3-(4-hydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid (CID 136961584) is 2-[3-(4-hydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid is O=C(O)Cn1c(=O)c(-c2ccc(O)cc2)nc2ccccc21.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid?
The InChIKey is SYXNJMUYDHONBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-11-7-5-10(6-8-11)15-16(22)18(9-14(20)21)13-4-2-1-3-12(13)17-15/h1-8,19H,9H2,(H,20,21).
What are the key properties of 2-[3-(4-hydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid?
2-[3-(4-hydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid has a molecular weight of 296.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid is sourced from PubChem (CID 136961584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).