[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate

C23H25N3O5 — CID 2536292

IUPAC[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1
InChIInChI=1S/C23H25N3O5/c1-14-9-15(2)11-16(10-14)21(29)24-12-20(28)31-13-19(27)26-18-8-6-5-7-17(18)25-22(30)23(26,3)4/h5-11H,12-13H2,1-4H3,(H,24,29)(H,25,30)
InChIKeyJPDQZAMQLNEPLW-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.34
Rot. Bonds5

About [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate

[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate (PubChem CID 2536292) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
PubChem CID2536292
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1
InChIInChI=1S/C23H25N3O5/c1-14-9-15(2)11-16(10-14)21(29)24-12-20(28)31-13-19(27)26-18-8-6-5-7-17(18)25-22(30)23(26,3)4/h5-11H,12-13H2,1-4H3,(H,24,29)(H,25,30)
InChIKeyJPDQZAMQLNEPLW-UHFFFAOYSA-N
XLogP2.34
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide
CID 2444963
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate
CID 3571140
4-(3-methylbenzoyl)-3-propyl-3,4-dihydro-2(1H)-quinoxalinone
CID 3385209
3-fluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 898411
4-[(3,5-Dimethylphenyl)-oxomethyl]-1,3-dihydroquinoxalin-2-one
CID 2123742
3-methyl-N-[3-(4-morpholinylcarbonyl)phenyl]benzamide
CID 2224665
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 2416741
N-[2-[4-(dimethylamino)phenyl]-1-({[2-(4-morpholinyl)ethyl]amino}carbonyl)vinyl]benzamide
CID 2874736
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 3555297
[1-[4-(Dimethylamino)anilino]-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 3984161
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-benzamido-3-methylbutanoate
CID 4877263
N-[(1Z)-1-[4-(dimethylamino)phenyl]-3-{[3-(morpholin-4-yl)propyl]amino}-3-oxoprop-1-en-2-yl]benzamide
CID 5736205

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
The IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate (CID 2536292) is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
The canonical SMILES for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate is Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1.
What is the InChIKey of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
The InChIKey is JPDQZAMQLNEPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-14-9-15(2)11-16(10-14)21(29)24-12-20(28)31-13-19(27)26-18-8-6-5-7-17(18)25-22(30)23(26,3)4/h5-11H,12-13H2,1-4H3,(H,24,29)(H,25,30).
What are the key properties of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate has a molecular weight of 423.47 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate is sourced from PubChem (CID 2536292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).