N-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide

C21H24N4O3 — CID 113195699

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cn2c(=O)c(=O)[nH]c3ccccc32)c(C)c1
InChIInChI=1S/C21H24N4O3/c1-4-24(5-2)15-10-11-16(14(3)12-15)22-19(26)13-25-18-9-7-6-8-17(18)23-20(27)21(25)28/h6-12H,4-5,13H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyRNRHQDKDRGWIMO-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.48
Rot. Bonds6

About N-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide

N-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide (PubChem CID 113195699) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide
PubChem CID113195699
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cn2c(=O)c(=O)[nH]c3ccccc32)c(C)c1
InChIInChI=1S/C21H24N4O3/c1-4-24(5-2)15-10-11-16(14(3)12-15)22-19(26)13-25-18-9-7-6-8-17(18)23-20(27)21(25)28/h6-12H,4-5,13H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyRNRHQDKDRGWIMO-UHFFFAOYSA-N
XLogP2.48
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide 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

2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 113195705
2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide
CID 113195630
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999
N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 44753800
N-[4-(diethylamino)-2-methylphenyl]-2-(1,2-dimethylindol-3-yl)acetamide
CID 113211503
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002411
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
CID 108518693
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide
CID 108997613
N-[4-(diethylamino)-2-methylphenyl]-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98367238
N-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195702

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide (CID 113195699) is N-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide is CCN(CC)c1ccc(NC(=O)Cn2c(=O)c(=O)[nH]c3ccccc32)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide?
The InChIKey is RNRHQDKDRGWIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-4-24(5-2)15-10-11-16(14(3)12-15)22-19(26)13-25-18-9-7-6-8-17(18)23-20(27)21(25)28/h6-12H,4-5,13H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide has a molecular weight of 380.45 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide is sourced from PubChem (CID 113195699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).