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

C20H20N2O5 — CID 2540712

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-phenoxybutanoate
SMILESO=C1CN(C(=O)COC(=O)CCCOc2ccccc2)c2ccccc2N1
InChIInChI=1S/C20H20N2O5/c23-18-13-22(17-10-5-4-9-16(17)21-18)19(24)14-27-20(25)11-6-12-26-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,21,23)
InChIKeyQKYJRDQBOXAVGT-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.37
Rot. Bonds7

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

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-phenoxybutanoate (PubChem CID 2540712) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-phenoxybutanoate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-phenoxybutanoate
PubChem CID2540712
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-phenoxybutanoate
SMILESO=C1CN(C(=O)COC(=O)CCCOc2ccccc2)c2ccccc2N1
InChIInChI=1S/C20H20N2O5/c23-18-13-22(17-10-5-4-9-16(17)21-18)19(24)14-27-20(25)11-6-12-26-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,21,23)
InChIKeyQKYJRDQBOXAVGT-UHFFFAOYSA-N
XLogP2.37
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-phenoxybutanoate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-phenoxybutanoate (CID 2540712) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-phenoxybutanoate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-phenoxybutanoate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-phenoxybutanoate is O=C1CN(C(=O)COC(=O)CCCOc2ccccc2)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-phenoxybutanoate?
The InChIKey is QKYJRDQBOXAVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c23-18-13-22(17-10-5-4-9-16(17)21-18)19(24)14-27-20(25)11-6-12-26-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,21,23).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-phenoxybutanoate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-phenoxybutanoate has a molecular weight of 368.39 g/mol, XLogP of 2.37, 7 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] 4-phenoxybutanoate is sourced from PubChem (CID 2540712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).