2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione

C23H21N5O3 — CID 108763935

IUPAC2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione
SMILESCC(C(=O)N1CCN(c2cnc3ccccc3n2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H21N5O3/c1-15(28-22(30)16-6-2-3-7-17(16)23(28)31)21(29)27-12-10-26(11-13-27)20-14-24-18-8-4-5-9-19(18)25-20/h2-9,14-15H,10-13H2,1H3
InChIKeyXFGQKFSRKXKSHS-UHFFFAOYSA-N
MW415.45 g/mol
LogP1.96
Rot. Bonds3

About 2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione

2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione (PubChem CID 108763935) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione
PubChem CID108763935
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione
SMILESCC(C(=O)N1CCN(c2cnc3ccccc3n2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H21N5O3/c1-15(28-22(30)16-6-2-3-7-17(16)23(28)31)21(29)27-12-10-26(11-13-27)20-14-24-18-8-4-5-9-19(18)25-20/h2-9,14-15H,10-13H2,1H3
InChIKeyXFGQKFSRKXKSHS-UHFFFAOYSA-N
XLogP1.96
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione (CID 108763935) is 2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione is CC(C(=O)N1CCN(c2cnc3ccccc3n2)CC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione?
The InChIKey is XFGQKFSRKXKSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-15(28-22(30)16-6-2-3-7-17(16)23(28)31)21(29)27-12-10-26(11-13-27)20-14-24-18-8-4-5-9-19(18)25-20/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione?
2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione has a molecular weight of 415.45 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 108763935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).