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

C16H12N2O5 — CID 136961585

IUPAC2-[3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(-c2ccc(O)cc2O)nc2ccccc21
InChIInChI=1S/C16H12N2O5/c19-9-5-6-10(13(20)7-9)15-16(23)18(8-14(21)22)12-4-2-1-3-11(12)17-15/h1-7,19-20H,8H2,(H,21,22)
InChIKeyGULDWYWFHFWKOW-UHFFFAOYSA-N
MW312.28 g/mol
LogP1.56
Rot. Bonds3

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

2-[3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid (PubChem CID 136961585) has the molecular formula C16H12N2O5 and a molecular weight of 312.28 g/mol. Its IUPAC name is 2-[3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
PubChem CID136961585
Molecular FormulaC16H12N2O5
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Name2-[3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(-c2ccc(O)cc2O)nc2ccccc21
InChIInChI=1S/C16H12N2O5/c19-9-5-6-10(13(20)7-9)15-16(23)18(8-14(21)22)12-4-2-1-3-11(12)17-15/h1-7,19-20H,8H2,(H,21,22)
InChIKeyGULDWYWFHFWKOW-UHFFFAOYSA-N
XLogP1.56
TPSA112.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-(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
2-[7-fluoro-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid
CID 136961596
2-[6-Methoxy-2-oxo-3-(2,4,6-trihydroxyphenyl)quinoxalin-1-yl]acetic acid
CID 137648396
2-[7-Methoxy-2-oxo-3-(2,4,6-trihydroxyphenyl)quinoxalin-1-yl]acetic acid
CID 137654350

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid?
The IUPAC name of 2-[3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid (CID 136961585) is 2-[3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid is O=C(O)Cn1c(=O)c(-c2ccc(O)cc2O)nc2ccccc21.
What is the InChIKey of 2-[3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid?
The InChIKey is GULDWYWFHFWKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5/c19-9-5-6-10(13(20)7-9)15-16(23)18(8-14(21)22)12-4-2-1-3-11(12)17-15/h1-7,19-20H,8H2,(H,21,22).
What are the key properties of 2-[3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid?
2-[3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid has a molecular weight of 312.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid is sourced from PubChem (CID 136961585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).