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

C19H16N2O4 — CID 118731562

IUPAC2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid
SMILESCOc1ccc(/C=C/c2nc3ccccc3n(CC(=O)O)c2=O)cc1
InChIInChI=1S/C19H16N2O4/c1-25-14-9-6-13(7-10-14)8-11-16-19(24)21(12-18(22)23)17-5-3-2-4-15(17)20-16/h2-11H,12H2,1H3,(H,22,23)/b11-8+
InChIKeyANNZPRKICFQYGB-DHZHZOJOSA-N
MW336.35 g/mol
LogP2.66
Rot. Bonds5

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

2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid (PubChem CID 118731562) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid
PubChem CID118731562
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid
SMILESCOc1ccc(/C=C/c2nc3ccccc3n(CC(=O)O)c2=O)cc1
InChIInChI=1S/C19H16N2O4/c1-25-14-9-6-13(7-10-14)8-11-16-19(24)21(12-18(22)23)17-5-3-2-4-15(17)20-16/h2-11H,12H2,1H3,(H,22,23)/b11-8+
InChIKeyANNZPRKICFQYGB-DHZHZOJOSA-N
XLogP2.66
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid (CID 118731562) is 2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid is COc1ccc(/C=C/c2nc3ccccc3n(CC(=O)O)c2=O)cc1.
What is the InChIKey of 2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid?
The InChIKey is ANNZPRKICFQYGB-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-25-14-9-6-13(7-10-14)8-11-16-19(24)21(12-18(22)23)17-5-3-2-4-15(17)20-16/h2-11H,12H2,1H3,(H,22,23)/b11-8+.
What are the key properties of 2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid?
2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid has a molecular weight of 336.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid is sourced from PubChem (CID 118731562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).