1-benzyl-3-(4-pentanoylpiperazin-1-yl)quinoxalin-2-one

C24H28N4O2 — CID 50837458

IUPAC1-benzyl-3-(4-pentanoylpiperazin-1-yl)quinoxalin-2-one
SMILESCCCCC(=O)N1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C24H28N4O2/c1-2-3-13-22(29)26-14-16-27(17-15-26)23-24(30)28(18-19-9-5-4-6-10-19)21-12-8-7-11-20(21)25-23/h4-12H,2-3,13-18H2,1H3
InChIKeyNYVGFAGHQXOHTN-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.28
Rot. Bonds6

About 1-benzyl-3-(4-pentanoylpiperazin-1-yl)quinoxalin-2-one

1-benzyl-3-(4-pentanoylpiperazin-1-yl)quinoxalin-2-one (PubChem CID 50837458) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-benzyl-3-(4-pentanoylpiperazin-1-yl)quinoxalin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(4-pentanoylpiperazin-1-yl)quinoxalin-2-one
PubChem CID50837458
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name1-benzyl-3-(4-pentanoylpiperazin-1-yl)quinoxalin-2-one
SMILESCCCCC(=O)N1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C24H28N4O2/c1-2-3-13-22(29)26-14-16-27(17-15-26)23-24(30)28(18-19-9-5-4-6-10-19)21-12-8-7-11-20(21)25-23/h4-12H,2-3,13-18H2,1H3
InChIKeyNYVGFAGHQXOHTN-UHFFFAOYSA-N
XLogP3.28
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-3-(4-pentanoylpiperazin-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-benzyl-3-(4-pentanoylpiperazin-1-yl)quinoxalin-2-one?
The IUPAC name of 1-benzyl-3-(4-pentanoylpiperazin-1-yl)quinoxalin-2-one (CID 50837458) is 1-benzyl-3-(4-pentanoylpiperazin-1-yl)quinoxalin-2-one.
What is the SMILES notation for 1-benzyl-3-(4-pentanoylpiperazin-1-yl)quinoxalin-2-one?
The canonical SMILES for 1-benzyl-3-(4-pentanoylpiperazin-1-yl)quinoxalin-2-one is CCCCC(=O)N1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1.
What is the InChIKey of 1-benzyl-3-(4-pentanoylpiperazin-1-yl)quinoxalin-2-one?
The InChIKey is NYVGFAGHQXOHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-2-3-13-22(29)26-14-16-27(17-15-26)23-24(30)28(18-19-9-5-4-6-10-19)21-12-8-7-11-20(21)25-23/h4-12H,2-3,13-18H2,1H3.
What are the key properties of 1-benzyl-3-(4-pentanoylpiperazin-1-yl)quinoxalin-2-one?
1-benzyl-3-(4-pentanoylpiperazin-1-yl)quinoxalin-2-one has a molecular weight of 404.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-pentanoylpiperazin-1-yl)quinoxalin-2-one is sourced from PubChem (CID 50837458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).