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

C17H13ClN2O4 — CID 2629169

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-chlorobenzoate
SMILESO=C1CN(C(=O)COC(=O)c2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C17H13ClN2O4/c18-12-7-5-11(6-8-12)17(23)24-10-16(22)20-9-15(21)19-13-3-1-2-4-14(13)20/h1-8H,9-10H2,(H,19,21)
InChIKeyXFNKQAZGXLNCLD-UHFFFAOYSA-N
MW344.75 g/mol
LogP2.48
Rot. Bonds3

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

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-chlorobenzoate (PubChem CID 2629169) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-chlorobenzoate
PubChem CID2629169
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-chlorobenzoate
SMILESO=C1CN(C(=O)COC(=O)c2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C17H13ClN2O4/c18-12-7-5-11(6-8-12)17(23)24-10-16(22)20-9-15(21)19-13-3-1-2-4-14(13)20/h1-8H,9-10H2,(H,19,21)
InChIKeyXFNKQAZGXLNCLD-UHFFFAOYSA-N
XLogP2.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-chlorobenzoate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-chlorobenzoate (CID 2629169) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-chlorobenzoate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-chlorobenzoate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-chlorobenzoate is O=C1CN(C(=O)COC(=O)c2ccc(Cl)cc2)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-chlorobenzoate?
The InChIKey is XFNKQAZGXLNCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c18-12-7-5-11(6-8-12)17(23)24-10-16(22)20-9-15(21)19-13-3-1-2-4-14(13)20/h1-8H,9-10H2,(H,19,21).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-chlorobenzoate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-chlorobenzoate has a molecular weight of 344.75 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-chlorobenzoate is sourced from PubChem (CID 2629169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).