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

C18H15ClN2O4 — CID 2520909

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-chlorophenyl)acetate
SMILESO=C1CN(C(=O)COC(=O)Cc2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C18H15ClN2O4/c19-13-7-5-12(6-8-13)9-18(24)25-11-17(23)21-10-16(22)20-14-3-1-2-4-15(14)21/h1-8H,9-11H2,(H,20,22)
InChIKeyHINIBLHNDCABPP-UHFFFAOYSA-N
MW358.78 g/mol
LogP2.41
Rot. Bonds4

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

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-chlorophenyl)acetate (PubChem CID 2520909) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-chlorophenyl)acetate
PubChem CID2520909
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-chlorophenyl)acetate
SMILESO=C1CN(C(=O)COC(=O)Cc2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C18H15ClN2O4/c19-13-7-5-12(6-8-13)9-18(24)25-11-17(23)21-10-16(22)20-14-3-1-2-4-15(14)21/h1-8H,9-11H2,(H,20,22)
InChIKeyHINIBLHNDCABPP-UHFFFAOYSA-N
XLogP2.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 52.41
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] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-chlorophenyl)acetate (CID 2520909) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-chlorophenyl)acetate is O=C1CN(C(=O)COC(=O)Cc2ccc(Cl)cc2)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is HINIBLHNDCABPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c19-13-7-5-12(6-8-13)9-18(24)25-11-17(23)21-10-16(22)20-14-3-1-2-4-15(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-(4-chlorophenyl)acetate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 358.78 g/mol, XLogP of 2.41, 4 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] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 2520909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).