[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate

C21H22N2O7 — CID 3902357

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C21H22N2O7/c1-27-16-8-13(9-17(28-2)21(16)29-3)10-20(26)30-12-19(25)23-11-18(24)22-14-6-4-5-7-15(14)23/h4-9H,10-12H2,1-3H3,(H,22,24)
InChIKeyNEPFYLXSMFPNOJ-UHFFFAOYSA-N
MW414.41 g/mol
LogP1.78
Rot. Bonds7

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 3902357) has the molecular formula C21H22N2O7 and a molecular weight of 414.41 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID3902357
Molecular FormulaC21H22N2O7
Molecular Weight414.41 g/mol
Exact Mass414.14
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C21H22N2O7/c1-27-16-8-13(9-17(28-2)21(16)29-3)10-20(26)30-12-19(25)23-11-18(24)22-14-6-4-5-7-15(14)23/h4-9H,10-12H2,1-3H3,(H,22,24)
InChIKeyNEPFYLXSMFPNOJ-UHFFFAOYSA-N
XLogP1.78
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate with MolForge

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Related Compounds

[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-fluorophenyl)acetate
CID 7758909
[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] 2,5-dimethoxybenzoate
CID 7561082
4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860602
4-[2-(3-fluoro-4-methoxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 17462364
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-nitrophenyl)acetate
CID 7832899
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 8805466
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-methylbenzoate
CID 2506258
4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860757
trans-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7776857
4-[2-[(2-methoxyphenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 2403769

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate (CID 3902357) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate is COc1cc(CC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc(OC)c1OC.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is NEPFYLXSMFPNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O7/c1-27-16-8-13(9-17(28-2)21(16)29-3)10-20(26)30-12-19(25)23-11-18(24)22-14-6-4-5-7-15(14)23/h4-9H,10-12H2,1-3H3,(H,22,24).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 414.41 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 3902357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).