[2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate

C23H23FN2O4 — CID 7637882

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
SMILESCCCCn1c(=O)c(CCC(=O)OCC(=O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C23H23FN2O4/c1-2-3-14-26-20-7-5-4-6-18(20)25-19(23(26)29)12-13-22(28)30-15-21(27)16-8-10-17(24)11-9-16/h4-11H,2-3,12-15H2,1H3
InChIKeyMUGIUBGIIULHPT-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.69
Rot. Bonds9

About [2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate

[2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate (PubChem CID 7637882) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
PubChem CID7637882
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
SMILESCCCCn1c(=O)c(CCC(=O)OCC(=O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C23H23FN2O4/c1-2-3-14-26-20-7-5-4-6-18(20)25-19(23(26)29)12-13-22(28)30-15-21(27)16-8-10-17(24)11-9-16/h4-11H,2-3,12-15H2,1H3
InChIKeyMUGIUBGIIULHPT-UHFFFAOYSA-N
XLogP3.69
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-ethylphenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 55308579
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 55308516
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 2414714
ethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate
CID 55308605
3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid
CID 2432558
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 7637785
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 55308567
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 2557186
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 16610750
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 46606953
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 7637836
[1-(azepan-1-yl)-1-oxopropan-2-yl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 55420742

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate (CID 7637882) is [2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate is CCCCn1c(=O)c(CCC(=O)OCC(=O)c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate?
The InChIKey is MUGIUBGIIULHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-2-3-14-26-20-7-5-4-6-18(20)25-19(23(26)29)12-13-22(28)30-15-21(27)16-8-10-17(24)11-9-16/h4-11H,2-3,12-15H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate?
[2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate has a molecular weight of 410.45 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate is sourced from PubChem (CID 7637882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).