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

C18H21N3O5 — CID 7727363

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate
SMILESO=C1CN(C(=O)COC(=O)CN2CCCCCC2=O)c2ccccc2N1
InChIInChI=1S/C18H21N3O5/c22-15-10-21(14-7-4-3-6-13(14)19-15)17(24)12-26-18(25)11-20-9-5-1-2-8-16(20)23/h3-4,6-7H,1-2,5,8-12H2,(H,19,22)
InChIKeyJZVZFZSLXAAAEN-UHFFFAOYSA-N
MW359.38 g/mol
LogP0.92
Rot. Bonds4

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

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate (PubChem CID 7727363) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate
PubChem CID7727363
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate
SMILESO=C1CN(C(=O)COC(=O)CN2CCCCCC2=O)c2ccccc2N1
InChIInChI=1S/C18H21N3O5/c22-15-10-21(14-7-4-3-6-13(14)19-15)17(24)12-26-18(25)11-20-9-5-1-2-8-16(20)23/h3-4,6-7H,1-2,5,8-12H2,(H,19,22)
InChIKeyJZVZFZSLXAAAEN-UHFFFAOYSA-N
XLogP0.92
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate with MolForge

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Related Compounds

[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-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632910
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 8673626
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2438205
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-methoxyphenoxy)acetate
CID 7854017
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-phenylphenoxy)acetate
CID 9140470
[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] 2-(2-nitrophenyl)acetate
CID 7832899
[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] 2-fluorobenzoate
CID 2431024
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate
CID 7803707

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate (CID 7727363) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate is O=C1CN(C(=O)COC(=O)CN2CCCCCC2=O)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate?
The InChIKey is JZVZFZSLXAAAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c22-15-10-21(14-7-4-3-6-13(14)19-15)17(24)12-26-18(25)11-20-9-5-1-2-8-16(20)23/h3-4,6-7H,1-2,5,8-12H2,(H,19,22).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate has a molecular weight of 359.38 g/mol, XLogP of 0.92, 4 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] 2-(2-oxoazepan-1-yl)acetate is sourced from PubChem (CID 7727363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).