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

C23H29N4O3+ — CID 9303707

IUPAC[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
SMILESCCc1ccccc1NC(=O)C[NH+](C)CC(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C23H28N4O3/c1-5-16-10-6-7-11-17(16)24-20(28)14-26(4)15-21(29)27-19-13-9-8-12-18(19)25-22(30)23(27,2)3/h6-13H,5,14-15H2,1-4H3,(H,24,28)(H,25,30)/p+1
InChIKeyQUFHSKCEHXEHLJ-UHFFFAOYSA-O
MW409.51 g/mol
LogP1.47
Rot. Bonds6

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

[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9303707) has the molecular formula C23H29N4O3+ and a molecular weight of 409.51 g/mol. Its IUPAC name is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
PubChem CID9303707
Molecular FormulaC23H29N4O3+
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
SMILESCCc1ccccc1NC(=O)C[NH+](C)CC(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C23H28N4O3/c1-5-16-10-6-7-11-17(16)24-20(28)14-26(4)15-21(29)27-19-13-9-8-12-18(19)25-22(30)23(27,2)3/h6-13H,5,14-15H2,1-4H3,(H,24,28)(H,25,30)/p+1
InChIKeyQUFHSKCEHXEHLJ-UHFFFAOYSA-O
XLogP1.47
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium 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]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium (CID 9303707) is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium is CCc1ccccc1NC(=O)C[NH+](C)CC(=O)N1c2ccccc2NC(=O)C1(C)C.
What is the InChIKey of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is QUFHSKCEHXEHLJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H28N4O3/c1-5-16-10-6-7-11-17(16)24-20(28)14-26(4)15-21(29)27-19-13-9-8-12-18(19)25-22(30)23(27,2)3/h6-13H,5,14-15H2,1-4H3,(H,24,28)(H,25,30)/p+1.
What are the key properties of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 409.51 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 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-(2-ethylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9303707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).