[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate

C23H24N2O5 — CID 4855616

IUPAC[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate
SMILESCc1ccc(C(=O)CCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1
InChIInChI=1S/C23H24N2O5/c1-15-8-10-16(11-9-15)19(26)12-13-21(28)30-14-20(27)25-18-7-5-4-6-17(18)24-22(29)23(25,2)3/h4-11H,12-14H2,1-3H3,(H,24,29)
InChIKeyRFHNDMOIZRJUDZ-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.27
Rot. Bonds6

About [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate

[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate (PubChem CID 4855616) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate
PubChem CID4855616
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate
SMILESCc1ccc(C(=O)CCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1
InChIInChI=1S/C23H24N2O5/c1-15-8-10-16(11-9-15)19(26)12-13-21(28)30-14-20(27)25-18-7-5-4-6-17(18)24-22(29)23(25,2)3/h4-11H,12-14H2,1-3H3,(H,24,29)
InChIKeyRFHNDMOIZRJUDZ-UHFFFAOYSA-N
XLogP3.27
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate?
The IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate (CID 4855616) is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate.
What is the SMILES notation for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate?
The canonical SMILES for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate is Cc1ccc(C(=O)CCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1.
What is the InChIKey of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate?
The InChIKey is RFHNDMOIZRJUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-15-8-10-16(11-9-15)19(26)12-13-21(28)30-14-20(27)25-18-7-5-4-6-17(18)24-22(29)23(25,2)3/h4-11H,12-14H2,1-3H3,(H,24,29).
What are the key properties of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate?
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate has a molecular weight of 408.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 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] 4-(4-methylphenyl)-4-oxobutanoate is sourced from PubChem (CID 4855616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).