[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(4-propanoylphenoxy)acetate

C25H26N2O6 — CID 55458531

IUPAC[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)N2c3ccccc3NC(=O)C23CCCC3)cc1
InChIInChI=1S/C25H26N2O6/c1-2-21(28)17-9-11-18(12-10-17)32-16-23(30)33-15-22(29)27-20-8-4-3-7-19(20)26-24(31)25(27)13-5-6-14-25/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,26,31)
InChIKeyWYVSGRDFDBYNCA-UHFFFAOYSA-N
MW450.49 g/mol
LogP3.50
Rot. Bonds7

About [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(4-propanoylphenoxy)acetate

[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(4-propanoylphenoxy)acetate (PubChem CID 55458531) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(4-propanoylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(4-propanoylphenoxy)acetate
PubChem CID55458531
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Name[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)N2c3ccccc3NC(=O)C23CCCC3)cc1
InChIInChI=1S/C25H26N2O6/c1-2-21(28)17-9-11-18(12-10-17)32-16-23(30)33-15-22(29)27-20-8-4-3-7-19(20)26-24(31)25(27)13-5-6-14-25/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,26,31)
InChIKeyWYVSGRDFDBYNCA-UHFFFAOYSA-N
XLogP3.50
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(4-propanoylphenoxy)acetate with MolForge

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Related Compounds

[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-(4-methylphenoxy)propanoate
CID 55458460
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 55459032
1-O-methyl 2-O-[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] benzene-1,2-dicarboxylate
CID 56505639
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 46658050
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3,4-dichlorobenzoate
CID 55458590
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 55458310
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 55460093
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate
CID 55459608
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 5-methylthiophene-2-carboxylate
CID 55458377
(4S)-4-methyl-5-[2-(4-propanoylphenoxy)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 11920730
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 5,6-dichloropyridine-3-carboxylate
CID 46658405
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(difluoromethoxy)benzoate
CID 46658647

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(4-propanoylphenoxy)acetate?
The IUPAC name of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(4-propanoylphenoxy)acetate (CID 55458531) is [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(4-propanoylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(4-propanoylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(4-propanoylphenoxy)acetate is CCC(=O)c1ccc(OCC(=O)OCC(=O)N2c3ccccc3NC(=O)C23CCCC3)cc1.
What is the InChIKey of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(4-propanoylphenoxy)acetate?
The InChIKey is WYVSGRDFDBYNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-2-21(28)17-9-11-18(12-10-17)32-16-23(30)33-15-22(29)27-20-8-4-3-7-19(20)26-24(31)25(27)13-5-6-14-25/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,26,31).
What are the key properties of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(4-propanoylphenoxy)acetate?
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(4-propanoylphenoxy)acetate has a molecular weight of 450.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(4-propanoylphenoxy)acetate is sourced from PubChem (CID 55458531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).