1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one

C26H32N4O2 — CID 46324518

IUPAC1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one
SMILESCc1cc2nc(C)c(=O)n(CCC(=O)N3CCN(c4cccc(C)c4C)CC3)c2cc1C
InChIInChI=1S/C26H32N4O2/c1-17-7-6-8-23(20(17)4)28-11-13-29(14-12-28)25(31)9-10-30-24-16-19(3)18(2)15-22(24)27-21(5)26(30)32/h6-8,15-16H,9-14H2,1-5H3
InChIKeyZHZGWDYXYSCHKX-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.68
Rot. Bonds4

About 1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one

1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one (PubChem CID 46324518) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one.

Molecular Properties

Compound Name1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one
PubChem CID46324518
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one
SMILESCc1cc2nc(C)c(=O)n(CCC(=O)N3CCN(c4cccc(C)c4C)CC3)c2cc1C
InChIInChI=1S/C26H32N4O2/c1-17-7-6-8-23(20(17)4)28-11-13-29(14-12-28)25(31)9-10-30-24-16-19(3)18(2)15-22(24)27-21(5)26(30)32/h6-8,15-16H,9-14H2,1-5H3
InChIKeyZHZGWDYXYSCHKX-UHFFFAOYSA-N
XLogP3.68
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one 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

3,6,7-trimethyl-1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]quinoxalin-2-one
CID 46324538
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768130
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one
CID 46324543
3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 40708470
3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one
CID 46324411
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688452
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one
CID 46324340
2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 4875402
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
5-bromo-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]pentan-1-one
CID 67721117
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile
CID 4188285
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109004303

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one?
The IUPAC name of 1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one (CID 46324518) is 1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one.
What is the SMILES notation for 1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one?
The canonical SMILES for 1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one is Cc1cc2nc(C)c(=O)n(CCC(=O)N3CCN(c4cccc(C)c4C)CC3)c2cc1C.
What is the InChIKey of 1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one?
The InChIKey is ZHZGWDYXYSCHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-17-7-6-8-23(20(17)4)28-11-13-29(14-12-28)25(31)9-10-30-24-16-19(3)18(2)15-22(24)27-21(5)26(30)32/h6-8,15-16H,9-14H2,1-5H3.
What are the key properties of 1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one?
1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one has a molecular weight of 432.57 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one is sourced from PubChem (CID 46324518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).