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

C18H16N2O4 — CID 118731564

IUPAC2-[3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(CCc2ccc(O)cc2)nc2ccccc21
InChIInChI=1S/C18H16N2O4/c21-13-8-5-12(6-9-13)7-10-15-18(24)20(11-17(22)23)16-4-2-1-3-14(16)19-15/h1-6,8-9,21H,7,10-11H2,(H,22,23)
InChIKeyQNUMHUQOESGHBD-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.97
Rot. Bonds5

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

2-[3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid (PubChem CID 118731564) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid
PubChem CID118731564
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-[3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(CCc2ccc(O)cc2)nc2ccccc21
InChIInChI=1S/C18H16N2O4/c21-13-8-5-12(6-9-13)7-10-15-18(24)20(11-17(22)23)16-4-2-1-3-14(16)19-15/h1-6,8-9,21H,7,10-11H2,(H,22,23)
InChIKeyQNUMHUQOESGHBD-UHFFFAOYSA-N
XLogP1.97
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Caroverine
CID 65709
Caroverine Hydrochloride
CID 3043582
(R)-2-[(S)-3-(4-Hydroxy-phenyl)-1-((S)-3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-propylamino]-propionic acid
CID 44460370
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-[3-(2,4-Dihydroxyphenyl)-7-fluoro-2-oxoquinoxalin-1-yl]acetic acid
CID 136961589
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-[3-[2-(4-Hydroxyphenyl)ethyl]-7-methoxy-2-oxoquinoxalin-1-yl]acetic acid
CID 137632846

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid?
The IUPAC name of 2-[3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid (CID 118731564) is 2-[3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid is O=C(O)Cn1c(=O)c(CCc2ccc(O)cc2)nc2ccccc21.
What is the InChIKey of 2-[3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid?
The InChIKey is QNUMHUQOESGHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-13-8-5-12(6-9-13)7-10-15-18(24)20(11-17(22)23)16-4-2-1-3-14(16)19-15/h1-6,8-9,21H,7,10-11H2,(H,22,23).
What are the key properties of 2-[3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid?
2-[3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid has a molecular weight of 324.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid is sourced from PubChem (CID 118731564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).