2-[4-oxo-4-(4-quinoxalin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione

C25H24N4O4 — CID 90560034

IUPAC2-[4-oxo-4-(4-quinoxalin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)N1CCC(Oc2cnc3ccccc3n2)CC1
InChIInChI=1S/C25H24N4O4/c30-23(10-5-13-29-24(31)18-6-1-2-7-19(18)25(29)32)28-14-11-17(12-15-28)33-22-16-26-20-8-3-4-9-21(20)27-22/h1-4,6-9,16-17H,5,10-15H2
InChIKeyJEEXFBJYNNCYEY-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.08
Rot. Bonds6

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

2-[4-oxo-4-(4-quinoxalin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione (PubChem CID 90560034) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-[4-oxo-4-(4-quinoxalin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-oxo-4-(4-quinoxalin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione
PubChem CID90560034
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name2-[4-oxo-4-(4-quinoxalin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)N1CCC(Oc2cnc3ccccc3n2)CC1
InChIInChI=1S/C25H24N4O4/c30-23(10-5-13-29-24(31)18-6-1-2-7-19(18)25(29)32)28-14-11-17(12-15-28)33-22-16-26-20-8-3-4-9-21(20)27-22/h1-4,6-9,16-17H,5,10-15H2
InChIKeyJEEXFBJYNNCYEY-UHFFFAOYSA-N
XLogP3.08
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-oxo-4-(4-quinoxalin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[4-oxo-4-(4-pyrimidin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione
CID 90558819
2-[4-(4-methoxypiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 110725297
2-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 35348582
2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
CID 90559928
2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione
CID 108754184
1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione
CID 90559993
ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate
CID 90559847
2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione
CID 802386
1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 90560043
2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 110397075
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
CID 90560033
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide
CID 108558510

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-4-(4-quinoxalin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-oxo-4-(4-quinoxalin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione (CID 90560034) is 2-[4-oxo-4-(4-quinoxalin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-oxo-4-(4-quinoxalin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-oxo-4-(4-quinoxalin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione is O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCC(Oc2cnc3ccccc3n2)CC1.
What is the InChIKey of 2-[4-oxo-4-(4-quinoxalin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione?
The InChIKey is JEEXFBJYNNCYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c30-23(10-5-13-29-24(31)18-6-1-2-7-19(18)25(29)32)28-14-11-17(12-15-28)33-22-16-26-20-8-3-4-9-21(20)27-22/h1-4,6-9,16-17H,5,10-15H2.
What are the key properties of 2-[4-oxo-4-(4-quinoxalin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione?
2-[4-oxo-4-(4-quinoxalin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione has a molecular weight of 444.49 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-4-(4-quinoxalin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione is sourced from PubChem (CID 90560034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).