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

C24H26N4O3 — CID 167732168

IUPAC3-[6-[(2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1(C)CNc2ccccc2N1Cc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H26N4O3/c1-24(2)14-25-18-5-3-4-6-19(18)28(24)12-15-7-8-17-16(11-15)13-27(23(17)31)20-9-10-21(29)26-22(20)30/h3-8,11,20,25H,9-10,12-14H2,1-2H3,(H,26,29,30)
InChIKeyREMNFWNXXYHFFB-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.66
Rot. Bonds3

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

3-[6-[(2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167732168) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-[6-[(2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[(2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167732168
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name3-[6-[(2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1(C)CNc2ccccc2N1Cc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H26N4O3/c1-24(2)14-25-18-5-3-4-6-19(18)28(24)12-15-7-8-17-16(11-15)13-27(23(17)31)20-9-10-21(29)26-22(20)30/h3-8,11,20,25H,9-10,12-14H2,1-2H3,(H,26,29,30)
InChIKeyREMNFWNXXYHFFB-UHFFFAOYSA-N
XLogP2.66
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167731318
3-[6-[(3-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740062
3-[6-[(4-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732794
3-[6-[(4-amino-2-azabicyclo[2.1.1]hexan-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167731464
3-[6-(3,7-diazatricyclo[3.3.2.01,5]decan-3-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735016
3-[6-[[4-(methylamino)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734657
3-[6-[amino(dideuterio)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156629005
3-[3-oxo-6-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167726598
3-[6-[[[(3S,4S)-3-hydroxy-1,2,3,4-tetrahydroquinolin-4-yl]-methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167727383
3-[6-[(3-amino-4,4-difluoro-3-methylpyrrolidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717047
3-[6-[[(3aR,8aS)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepin-6-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716932
3-[6-[[2-(hydroxymethyl)-2-methylpiperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167727805

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[(2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167732168) is 3-[6-[(2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[(2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[(2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC1(C)CNc2ccccc2N1Cc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-[6-[(2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is REMNFWNXXYHFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-24(2)14-25-18-5-3-4-6-19(18)28(24)12-15-7-8-17-16(11-15)13-27(23(17)31)20-9-10-21(29)26-22(20)30/h3-8,11,20,25H,9-10,12-14H2,1-2H3,(H,26,29,30).
What are the key properties of 3-[6-[(2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[(2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 418.50 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167732168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).