3-[4-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C23H24N4O3 — CID 167736714

IUPAC3-[4-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1CNc2ccccc2N1Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C23H24N4O3/c1-14-11-24-17-7-2-3-8-18(17)26(14)12-15-5-4-6-16-13-27(23(30)21(15)16)19-9-10-20(28)25-22(19)29/h2-8,14,19,24H,9-13H2,1H3,(H,25,28,29)
InChIKeyZIOALUOIENPLAO-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.27
Rot. Bonds3

About 3-[4-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[4-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167736714) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[4-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167736714
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name3-[4-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1CNc2ccccc2N1Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C23H24N4O3/c1-14-11-24-17-7-2-3-8-18(17)26(14)12-15-5-4-6-16-13-27(23(30)21(15)16)19-9-10-20(28)25-22(19)29/h2-8,14,19,24H,9-13H2,1H3,(H,25,28,29)
InChIKeyZIOALUOIENPLAO-UHFFFAOYSA-N
XLogP2.27
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-[4-[[(2S,3R)-2,3-dimethylpiperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734754
3-[4-[(4-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167718721
3-[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735565
3-[4-(4-methylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155177575
3-[4-(4,8-diazabicyclo[5.1.0]octan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167719888
3-[4-[[4-(methylamino)azepan-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167721242
3-[3-oxo-4-[(3-piperidin-4-yl-2,3-dihydroindol-1-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167728262
3-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732410
3-[4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167728566
3-[4-[[(2R)-2-(aminomethyl)pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167727976
3-[3-oxo-4-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740666
3-[4-[[(4-methylpiperidin-3-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167727852

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167736714) is 3-[4-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC1CNc2ccccc2N1Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 3-[4-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is ZIOALUOIENPLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14-11-24-17-7-2-3-8-18(17)26(14)12-15-5-4-6-16-13-27(23(30)21(15)16)19-9-10-20(28)25-22(19)29/h2-8,14,19,24H,9-13H2,1H3,(H,25,28,29).
What are the key properties of 3-[4-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[4-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 404.47 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167736714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).