N-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-yl]acetamide

C17H23N5O3 — CID 50792205

IUPACN-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C17H23N5O3/c1-11(23)18-12-9-14-15(21(4)17(25)16(24)20(14)3)10-13(12)22-7-5-19(2)6-8-22/h9-10H,5-8H2,1-4H3,(H,18,23)
InChIKeyJAHHIYFWCOJXDH-UHFFFAOYSA-N
MW345.40 g/mol
LogP-0.05
Rot. Bonds2

About N-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-yl]acetamide

N-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-yl]acetamide (PubChem CID 50792205) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-yl]acetamide
PubChem CID50792205
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C17H23N5O3/c1-11(23)18-12-9-14-15(21(4)17(25)16(24)20(14)3)10-13(12)22-7-5-19(2)6-8-22/h9-10H,5-8H2,1-4H3,(H,18,23)
InChIKeyJAHHIYFWCOJXDH-UHFFFAOYSA-N
XLogP-0.05
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-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

Frequently Asked Questions

What is the IUPAC name of N-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-yl]acetamide?
The IUPAC name of N-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-yl]acetamide (CID 50792205) is N-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-yl]acetamide.
What is the SMILES notation for N-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-yl]acetamide?
The canonical SMILES for N-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-yl]acetamide is CC(=O)Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)c(=O)n2C.
What is the InChIKey of N-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-yl]acetamide?
The InChIKey is JAHHIYFWCOJXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11(23)18-12-9-14-15(21(4)17(25)16(24)20(14)3)10-13(12)22-7-5-19(2)6-8-22/h9-10H,5-8H2,1-4H3,(H,18,23).
What are the key properties of N-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-yl]acetamide?
N-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-yl]acetamide has a molecular weight of 345.40 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-yl]acetamide is sourced from PubChem (CID 50792205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).