2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid

C19H16N2O5 — CID 136961597

IUPAC2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid
SMILESCOc1cc(/C=C/c2nc3ccccc3n(CC(=O)O)c2=O)ccc1O
InChIInChI=1S/C19H16N2O5/c1-26-17-10-12(7-9-16(17)22)6-8-14-19(25)21(11-18(23)24)15-5-3-2-4-13(15)20-14/h2-10,22H,11H2,1H3,(H,23,24)/b8-6+
InChIKeyBFOSJHHYUOYEGL-SOFGYWHQSA-N
MW352.35 g/mol
LogP2.37
Rot. Bonds5

About 2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid

2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid (PubChem CID 136961597) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid
PubChem CID136961597
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid
SMILESCOc1cc(/C=C/c2nc3ccccc3n(CC(=O)O)c2=O)ccc1O
InChIInChI=1S/C19H16N2O5/c1-26-17-10-12(7-9-16(17)22)6-8-14-19(25)21(11-18(23)24)15-5-3-2-4-13(15)20-14/h2-10,22H,11H2,1H3,(H,23,24)/b8-6+
InChIKeyBFOSJHHYUOYEGL-SOFGYWHQSA-N
XLogP2.37
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 2425237
3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-methylquinoxalin-2-one
CID 5769564
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-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-7-hydroxy-2-oxoquinoxalin-1-yl]acetic acid
CID 137633636
2-[3-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-6-methoxy-2-oxoquinoxalin-1-yl]acetic acid
CID 137634546
2-[7-methoxy-2-oxo-3-[(E)-2-phenylethenyl]quinoxalin-1-yl]acetic acid
CID 137637917
2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-7-methoxy-2-oxoquinoxalin-1-yl]acetic acid
CID 137639200
2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-6-methoxy-2-oxoquinoxalin-1-yl]acetic acid
CID 137647026
2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-methoxy-2-oxoquinoxalin-1-yl]acetic acid
CID 137648626
2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-methoxy-2-oxoquinoxalin-1-yl]acetic acid
CID 137650007
2-[3-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-7-methoxy-2-oxoquinoxalin-1-yl]acetic acid
CID 137650359

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid (CID 136961597) is 2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid is COc1cc(/C=C/c2nc3ccccc3n(CC(=O)O)c2=O)ccc1O.
What is the InChIKey of 2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid?
The InChIKey is BFOSJHHYUOYEGL-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-26-17-10-12(7-9-16(17)22)6-8-14-19(25)21(11-18(23)24)15-5-3-2-4-13(15)20-14/h2-10,22H,11H2,1H3,(H,23,24)/b8-6+.
What are the key properties of 2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid?
2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid has a molecular weight of 352.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid is sourced from PubChem (CID 136961597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).