4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide

C26H33N5O3 — CID 50815603

IUPAC4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
SMILESCCN1CCN(CCNC(=O)c2ccc(Cn3c(=O)c(=O)n(CC)c4ccccc43)cc2)CC1
InChIInChI=1S/C26H33N5O3/c1-3-28-15-17-29(18-16-28)14-13-27-24(32)21-11-9-20(10-12-21)19-31-23-8-6-5-7-22(23)30(4-2)25(33)26(31)34/h5-12H,3-4,13-19H2,1-2H3,(H,27,32)
InChIKeyNXUSCLKZSYXRMU-UHFFFAOYSA-N
MW463.58 g/mol
LogP1.60
Rot. Bonds8

About 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide

4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide (PubChem CID 50815603) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
PubChem CID50815603
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
SMILESCCN1CCN(CCNC(=O)c2ccc(Cn3c(=O)c(=O)n(CC)c4ccccc43)cc2)CC1
InChIInChI=1S/C26H33N5O3/c1-3-28-15-17-29(18-16-28)14-13-27-24(32)21-11-9-20(10-12-21)19-31-23-8-6-5-7-22(23)30(4-2)25(33)26(31)34/h5-12H,3-4,13-19H2,1-2H3,(H,27,32)
InChIKeyNXUSCLKZSYXRMU-UHFFFAOYSA-N
XLogP1.60
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide 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

4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 50815808
1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058369
4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
CID 119901794
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
CID 50815789
4-[(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 50817147
N-[(4-ethylphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
CID 50815654
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 46357411
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
CID 46375725
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 50815790
N-[(2-ethoxyphenyl)methyl]-4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
CID 50815625
1-[[4-(azepane-1-carbonyl)phenyl]methyl]-4-ethylquinoxaline-2,3-dione
CID 46375719

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide (CID 50815603) is 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide is CCN1CCN(CCNC(=O)c2ccc(Cn3c(=O)c(=O)n(CC)c4ccccc43)cc2)CC1.
What is the InChIKey of 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is NXUSCLKZSYXRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-3-28-15-17-29(18-16-28)14-13-27-24(32)21-11-9-20(10-12-21)19-31-23-8-6-5-7-22(23)30(4-2)25(33)26(31)34/h5-12H,3-4,13-19H2,1-2H3,(H,27,32).
What are the key properties of 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide?
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 463.58 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 50815603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).