[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate

C27H27N3O6 — CID 55458696

IUPAC[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)OCC(=O)N1c3ccccc3NC(=O)C13CCCC3)C2=O
InChIInChI=1S/C27H27N3O6/c1-17-10-11-18-19(15-17)25(34)29(24(18)33)14-6-9-23(32)36-16-22(31)30-21-8-3-2-7-20(21)28-26(35)27(30)12-4-5-13-27/h2-3,7-8,10-11,15H,4-6,9,12-14,16H2,1H3,(H,28,35)
InChIKeyIAIHXVAOZHNVIE-UHFFFAOYSA-N
MW489.53 g/mol
LogP3.21
Rot. Bonds6

About [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate

[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate (PubChem CID 55458696) has the molecular formula C27H27N3O6 and a molecular weight of 489.53 g/mol. Its IUPAC name is [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate
PubChem CID55458696
Molecular FormulaC27H27N3O6
Molecular Weight489.53 g/mol
Exact Mass489.19
IUPAC Name[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)OCC(=O)N1c3ccccc3NC(=O)C13CCCC3)C2=O
InChIInChI=1S/C27H27N3O6/c1-17-10-11-18-19(15-17)25(34)29(24(18)33)14-6-9-23(32)36-16-22(31)30-21-8-3-2-7-20(21)28-26(35)27(30)12-4-5-13-27/h2-3,7-8,10-11,15H,4-6,9,12-14,16H2,1H3,(H,28,35)
InChIKeyIAIHXVAOZHNVIE-UHFFFAOYSA-N
XLogP3.21
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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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
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate
CID 55495549
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 55460093
(1,3-dioxoisoindol-2-yl)methyl 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate
CID 46816811
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 5-methylthiophene-2-carboxylate
CID 55458377
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] 3,4-dichlorobenzoate
CID 55458590
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2,4-difluorobenzoate
CID 55459108
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate
CID 35183247
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-bromo-4-fluorobenzoate
CID 46666621
(2-oxo-2-piperidin-1-ylethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 55317694

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate?
The IUPAC name of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate (CID 55458696) is [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate.
What is the SMILES notation for [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate?
The canonical SMILES for [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate is Cc1ccc2c(c1)C(=O)N(CCCC(=O)OCC(=O)N1c3ccccc3NC(=O)C13CCCC3)C2=O.
What is the InChIKey of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate?
The InChIKey is IAIHXVAOZHNVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O6/c1-17-10-11-18-19(15-17)25(34)29(24(18)33)14-6-9-23(32)36-16-22(31)30-21-8-3-2-7-20(21)28-26(35)27(30)12-4-5-13-27/h2-3,7-8,10-11,15H,4-6,9,12-14,16H2,1H3,(H,28,35).
What are the key properties of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate?
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate has a molecular weight of 489.53 g/mol, XLogP of 3.21, 6 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] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate is sourced from PubChem (CID 55458696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).