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

C21H19FN2O5 — CID 75423377

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(2-fluorophenyl)-2-methyl-4-oxobutanoate
SMILESCC(CC(=O)c1ccccc1F)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C21H19FN2O5/c1-13(10-18(25)14-6-2-3-7-15(14)22)21(28)29-12-20(27)24-11-19(26)23-16-8-4-5-9-17(16)24/h2-9,13H,10-12H2,1H3,(H,23,26)
InChIKeyWOQYIBFNBCANDJ-UHFFFAOYSA-N
MW398.39 g/mol
LogP2.56
Rot. Bonds6

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

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(2-fluorophenyl)-2-methyl-4-oxobutanoate (PubChem CID 75423377) has the molecular formula C21H19FN2O5 and a molecular weight of 398.39 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(2-fluorophenyl)-2-methyl-4-oxobutanoate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(2-fluorophenyl)-2-methyl-4-oxobutanoate
PubChem CID75423377
Molecular FormulaC21H19FN2O5
Molecular Weight398.39 g/mol
Exact Mass398.13
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(2-fluorophenyl)-2-methyl-4-oxobutanoate
SMILESCC(CC(=O)c1ccccc1F)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C21H19FN2O5/c1-13(10-18(25)14-6-2-3-7-15(14)22)21(28)29-12-20(27)24-11-19(26)23-16-8-4-5-9-17(16)24/h2-9,13H,10-12H2,1H3,(H,23,26)
InChIKeyWOQYIBFNBCANDJ-UHFFFAOYSA-N
XLogP2.56
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-fluorobenzoate
CID 2431024
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 55926912
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,4-difluorobenzoate
CID 2645908
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-fluorophenyl)acetate
CID 7758909
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191513
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-methylbenzoate
CID 2506258
trans-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7776857
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(4-fluorophenyl)prop-2-enoate
CID 4035522
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 7873552
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 4785369
[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] (2R)-2-(furan-2-carbonylamino)propanoate
CID 2091720

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(2-fluorophenyl)-2-methyl-4-oxobutanoate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(2-fluorophenyl)-2-methyl-4-oxobutanoate (CID 75423377) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(2-fluorophenyl)-2-methyl-4-oxobutanoate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(2-fluorophenyl)-2-methyl-4-oxobutanoate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(2-fluorophenyl)-2-methyl-4-oxobutanoate is CC(CC(=O)c1ccccc1F)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(2-fluorophenyl)-2-methyl-4-oxobutanoate?
The InChIKey is WOQYIBFNBCANDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O5/c1-13(10-18(25)14-6-2-3-7-15(14)22)21(28)29-12-20(27)24-11-19(26)23-16-8-4-5-9-17(16)24/h2-9,13H,10-12H2,1H3,(H,23,26).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(2-fluorophenyl)-2-methyl-4-oxobutanoate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(2-fluorophenyl)-2-methyl-4-oxobutanoate has a molecular weight of 398.39 g/mol, XLogP of 2.56, 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-(2-fluorophenyl)-2-methyl-4-oxobutanoate is sourced from PubChem (CID 75423377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).