1-methyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]quinoxalin-2-one

C23H26N4O2 — CID 53131440

IUPAC1-methyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]quinoxalin-2-one
SMILESCC(CC(=O)N1CCN(c2nc3ccccc3n(C)c2=O)CC1)c1ccccc1
InChIInChI=1S/C23H26N4O2/c1-17(18-8-4-3-5-9-18)16-21(28)26-12-14-27(15-13-26)22-23(29)25(2)20-11-7-6-10-19(20)24-22/h3-11,17H,12-16H2,1-2H3
InChIKeyPTXIMTXDKIMLTR-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.78
Rot. Bonds4

About 1-methyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]quinoxalin-2-one

1-methyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]quinoxalin-2-one (PubChem CID 53131440) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-methyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]quinoxalin-2-one
PubChem CID53131440
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-methyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]quinoxalin-2-one
SMILESCC(CC(=O)N1CCN(c2nc3ccccc3n(C)c2=O)CC1)c1ccccc1
InChIInChI=1S/C23H26N4O2/c1-17(18-8-4-3-5-9-18)16-21(28)26-12-14-27(15-13-26)22-23(29)25(2)20-11-7-6-10-19(20)24-22/h3-11,17H,12-16H2,1-2H3
InChIKeyPTXIMTXDKIMLTR-UHFFFAOYSA-N
XLogP2.78
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]quinoxalin-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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]quinoxalin-2-one?
The IUPAC name of 1-methyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]quinoxalin-2-one (CID 53131440) is 1-methyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]quinoxalin-2-one.
What is the SMILES notation for 1-methyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]quinoxalin-2-one?
The canonical SMILES for 1-methyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]quinoxalin-2-one is CC(CC(=O)N1CCN(c2nc3ccccc3n(C)c2=O)CC1)c1ccccc1.
What is the InChIKey of 1-methyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]quinoxalin-2-one?
The InChIKey is PTXIMTXDKIMLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17(18-8-4-3-5-9-18)16-21(28)26-12-14-27(15-13-26)22-23(29)25(2)20-11-7-6-10-19(20)24-22/h3-11,17H,12-16H2,1-2H3.
What are the key properties of 1-methyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]quinoxalin-2-one?
1-methyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]quinoxalin-2-one has a molecular weight of 390.49 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]quinoxalin-2-one is sourced from PubChem (CID 53131440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).