[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate

C18H15ClN2O5 — CID 7803707

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate
SMILESO=C1CN(C(=O)COC(=O)COc2cccc(Cl)c2)c2ccccc2N1
InChIInChI=1S/C18H15ClN2O5/c19-12-4-3-5-13(8-12)25-11-18(24)26-10-17(23)21-9-16(22)20-14-6-1-2-7-15(14)21/h1-8H,9-11H2,(H,20,22)
InChIKeyKLHHWVYQWPTXBZ-UHFFFAOYSA-N
MW374.78 g/mol
LogP2.25
Rot. Bonds5

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate (PubChem CID 7803707) has the molecular formula C18H15ClN2O5 and a molecular weight of 374.78 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate
PubChem CID7803707
Molecular FormulaC18H15ClN2O5
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate
SMILESO=C1CN(C(=O)COC(=O)COc2cccc(Cl)c2)c2ccccc2N1
InChIInChI=1S/C18H15ClN2O5/c19-12-4-3-5-13(8-12)25-11-18(24)26-10-17(23)21-9-16(22)20-14-6-1-2-7-15(14)21/h1-8H,9-11H2,(H,20,22)
InChIKeyKLHHWVYQWPTXBZ-UHFFFAOYSA-N
XLogP2.25
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate with MolForge

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Related Compounds

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-phenylphenoxy)acetate
CID 9140470
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2438205
4-[2-(3-phenoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 2640660
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-methoxyphenoxy)acetate
CID 7854017
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-fluorophenyl)acetate
CID 7758909
4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
CID 7818538
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 5191092
4-[2-(2-ethoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860466
4-[2-(2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one
CID 2705042
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2634946
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632910
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 3902357

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate (CID 7803707) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate is O=C1CN(C(=O)COC(=O)COc2cccc(Cl)c2)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate?
The InChIKey is KLHHWVYQWPTXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O5/c19-12-4-3-5-13(8-12)25-11-18(24)26-10-17(23)21-9-16(22)20-14-6-1-2-7-15(14)21/h1-8H,9-11H2,(H,20,22).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate has a molecular weight of 374.78 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate is sourced from PubChem (CID 7803707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).