[2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate

C19H16N2O4 — CID 7676643

IUPAC[2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
SMILESCCOc1ccc(C(=O)COC(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C19H16N2O4/c1-2-24-15-6-3-13(4-7-15)18(22)12-25-19(23)14-5-8-16-17(11-14)21-10-9-20-16/h3-11H,2,12H2,1H3
InChIKeyPOMNPIYBZOZJOC-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.07
Rot. Bonds6

About [2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate

[2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate (PubChem CID 7676643) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
PubChem CID7676643
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name[2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
SMILESCCOc1ccc(C(=O)COC(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C19H16N2O4/c1-2-24-15-6-3-13(4-7-15)18(22)12-25-19(23)14-5-8-16-17(11-14)21-10-9-20-16/h3-11H,2,12H2,1H3
InChIKeyPOMNPIYBZOZJOC-UHFFFAOYSA-N
XLogP3.07
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate
CID 7676700
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoxaline-6-carboxylate
CID 7676596
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203723
[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676604
[2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676785
[2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7991043
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 7744622
[2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677118
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676763
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 4797668
N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 42928541
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate
CID 7848171

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate?
The IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate (CID 7676643) is [2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate.
What is the SMILES notation for [2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate?
The canonical SMILES for [2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate is CCOc1ccc(C(=O)COC(=O)c2ccc3nccnc3c2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate?
The InChIKey is POMNPIYBZOZJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-2-24-15-6-3-13(4-7-15)18(22)12-25-19(23)14-5-8-16-17(11-14)21-10-9-20-16/h3-11H,2,12H2,1H3.
What are the key properties of [2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate?
[2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate is sourced from PubChem (CID 7676643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).