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

C18H15FN2O4 — CID 3615558

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-fluorophenyl)acetate
SMILESO=C1CN(C(=O)COC(=O)Cc2ccccc2F)c2ccccc2N1
InChIInChI=1S/C18H15FN2O4/c19-13-6-2-1-5-12(13)9-18(24)25-11-17(23)21-10-16(22)20-14-7-3-4-8-15(14)21/h1-8H,9-11H2,(H,20,22)
InChIKeyAOLSXBBYEAMLES-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.90
Rot. Bonds4

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

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-fluorophenyl)acetate (PubChem CID 3615558) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-fluorophenyl)acetate
PubChem CID3615558
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-fluorophenyl)acetate
SMILESO=C1CN(C(=O)COC(=O)Cc2ccccc2F)c2ccccc2N1
InChIInChI=1S/C18H15FN2O4/c19-13-6-2-1-5-12(13)9-18(24)25-11-17(23)21-10-16(22)20-14-7-3-4-8-15(14)21/h1-8H,9-11H2,(H,20,22)
InChIKeyAOLSXBBYEAMLES-UHFFFAOYSA-N
XLogP1.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2380295
[2-(3-Fluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2425033
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-chloro-6-fluorobenzoate
CID 2500874
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate
CID 3571140
{4-[4-(2-Ethyl-butyrylamino)-2-fluoro-phenyl]-piperazin-1-yl}-phenyl-acetic acid methyl ester
CID 16667331
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[2-(4-fluorophenyl)ethylamino]benzoate
CID 2116699
[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 2621380
(S)-2-(2-(3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)acetamido)-2-phenylacetic acid
CID 7693219
(2R)-({N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]glycyl}amino)(phenyl)ethanoic acid
CID 7709245
[2-[[2-(4-Fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 24686159
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate
CID 4023849
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 4024380

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-fluorophenyl)acetate (CID 3615558) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-fluorophenyl)acetate is O=C1CN(C(=O)COC(=O)Cc2ccccc2F)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is AOLSXBBYEAMLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c19-13-6-2-1-5-12(13)9-18(24)25-11-17(23)21-10-16(22)20-14-7-3-4-8-15(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-(2-fluorophenyl)acetate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 342.33 g/mol, XLogP of 1.90, 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-(2-fluorophenyl)acetate is sourced from PubChem (CID 3615558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).