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

C20H17FN2O5 — CID 4024380

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C1CN(C(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c2ccccc2N1
InChIInChI=1S/C20H17FN2O5/c21-14-7-5-13(6-8-14)17(24)9-10-20(27)28-12-19(26)23-11-18(25)22-15-3-1-2-4-16(15)23/h1-8H,9-12H2,(H,22,25)
InChIKeyFQMDNDXTPKZWHM-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.32
Rot. Bonds6

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

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 4024380) has the molecular formula C20H17FN2O5 and a molecular weight of 384.36 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID4024380
Molecular FormulaC20H17FN2O5
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C1CN(C(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c2ccccc2N1
InChIInChI=1S/C20H17FN2O5/c21-14-7-5-13(6-8-14)17(24)9-10-20(27)28-12-19(26)23-11-18(25)22-15-3-1-2-4-16(15)23/h1-8H,9-12H2,(H,22,25)
InChIKeyFQMDNDXTPKZWHM-UHFFFAOYSA-N
XLogP2.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate
CID 3571140
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[2-(4-fluorophenyl)ethylamino]benzoate
CID 2116699
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2417658
[2-(2,4-Difluoroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2432465
[2-[4-[Ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2434380
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-benzamido-3-methylbutanoate
CID 4877263
[2-(3-Acetylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2361902
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-fluorophenyl)acetate
CID 3615558
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate
CID 4023849
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 4788668
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 4842259
4-Fluoro-benzoic acid (2-morpholin-4-yl-phenylcarbamoyl)-methyl ester
CID 1089230

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate (CID 4024380) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate is O=C1CN(C(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is FQMDNDXTPKZWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O5/c21-14-7-5-13(6-8-14)17(24)9-10-20(27)28-12-19(26)23-11-18(25)22-15-3-1-2-4-16(15)23/h1-8H,9-12H2,(H,22,25).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 384.36 g/mol, XLogP of 2.32, 6 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-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 4024380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).