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

C26H30N4O3 — CID 167739138

IUPAC3-[6-[[2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCNCc1ccc2c(c1)CCC(C)N2Cc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C26H30N4O3/c1-16-3-6-19-11-17(13-27-2)5-8-22(19)29(16)14-18-4-7-21-20(12-18)15-30(26(21)33)23-9-10-24(31)28-25(23)32/h4-5,7-8,11-12,16,23,27H,3,6,9-10,13-15H2,1-2H3,(H,28,31,32)
InChIKeyYOPBTINNHMZYIW-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.51
Rot. Bonds5

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

3-[6-[[2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167739138) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 3-[6-[[2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[[2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167739138
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name3-[6-[[2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCNCc1ccc2c(c1)CCC(C)N2Cc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C26H30N4O3/c1-16-3-6-19-11-17(13-27-2)5-8-22(19)29(16)14-18-4-7-21-20(12-18)15-30(26(21)33)23-9-10-24(31)28-25(23)32/h4-5,7-8,11-12,16,23,27H,3,6,9-10,13-15H2,1-2H3,(H,28,31,32)
InChIKeyYOPBTINNHMZYIW-UHFFFAOYSA-N
XLogP2.51
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[6-[[2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[6-[[[3-(methylaminomethyl)phenyl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736958
3-[6-[[3-(methylaminomethyl)anilino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735749
3-[6-[[4-(methylamino)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734657
3-[6-[[[2-methyl-3-(methylamino)propyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716765
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]formamide
CID 130219683
3-[6-[[2-(ethylamino)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736726
3-[6-[[[6-(methylamino)-3-pyridinyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714439
3-[6-[amino(dideuterio)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156629005
3-[6-[[[3-(methylamino)cyclohexyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733939
3-[6-[[[(2S,3R)-2-methylpyrrolidin-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167722165
3-[6-[(2-methylpiperazin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167728510
3-[6-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167731246

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[[2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167739138) is 3-[6-[[2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[[2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[[2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CNCc1ccc2c(c1)CCC(C)N2Cc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-[6-[[2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is YOPBTINNHMZYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-16-3-6-19-11-17(13-27-2)5-8-22(19)29(16)14-18-4-7-21-20(12-18)15-30(26(21)33)23-9-10-24(31)28-25(23)32/h4-5,7-8,11-12,16,23,27H,3,6,9-10,13-15H2,1-2H3,(H,28,31,32).
What are the key properties of 3-[6-[[2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[[2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 446.55 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167739138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).