2-[3-[bis(trimethylsilyl)amino]propyl]benzo[de]isoquinoline-1,3-dione

C21H30N2O2Si2 — CID 67079769

IUPAC2-[3-[bis(trimethylsilyl)amino]propyl]benzo[de]isoquinoline-1,3-dione
SMILESC[Si](C)(C)N(CCCN1C(=O)c2cccc3cccc(c23)C1=O)[Si](C)(C)C
InChIInChI=1S/C21H30N2O2Si2/c1-26(2,3)23(27(4,5)6)15-9-14-22-20(24)17-12-7-10-16-11-8-13-18(19(16)17)21(22)25/h7-8,10-13H,9,14-15H2,1-6H3
InChIKeyCQFNYJIVQQBWCA-UHFFFAOYSA-N
MW398.66 g/mol
LogP4.80
Rot. Bonds6

About 2-[3-[bis(trimethylsilyl)amino]propyl]benzo[de]isoquinoline-1,3-dione

2-[3-[bis(trimethylsilyl)amino]propyl]benzo[de]isoquinoline-1,3-dione (PubChem CID 67079769) has the molecular formula C21H30N2O2Si2 and a molecular weight of 398.66 g/mol. Its IUPAC name is 2-[3-[bis(trimethylsilyl)amino]propyl]benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[3-[bis(trimethylsilyl)amino]propyl]benzo[de]isoquinoline-1,3-dione
PubChem CID67079769
Molecular FormulaC21H30N2O2Si2
Molecular Weight398.66 g/mol
Exact Mass398.18
IUPAC Name2-[3-[bis(trimethylsilyl)amino]propyl]benzo[de]isoquinoline-1,3-dione
SMILESC[Si](C)(C)N(CCCN1C(=O)c2cccc3cccc(c23)C1=O)[Si](C)(C)C
InChIInChI=1S/C21H30N2O2Si2/c1-26(2,3)23(27(4,5)6)15-9-14-22-20(24)17-12-7-10-16-11-8-13-18(19(16)17)21(22)25/h7-8,10-13H,9,14-15H2,1-6H3
InChIKeyCQFNYJIVQQBWCA-UHFFFAOYSA-N
XLogP4.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.66
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[6-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl-methylamino]hexyl-methylamino]propyl]benzo[de]isoquinoline-1,3-dione
CID 16725978
2-[3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]amino]propyl]benzo[de]isoquinoline-1,3-dione
CID 44553380
2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-methylamino]propyl-methylamino]ethyl]benzo[de]isoquinoline-1,3-dione;ethane
CID 143501202
3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl-[3-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl-dimethylazaniumyl]propyl]-dimethylazanium
CID 46888340
2-(4-aminobutyl)benzo[de]isoquinoline-1,3-dione
CID 11623143
2-[3-(2,3-dimethyloxiran-2-yl)propyl]benzo[de]isoquinoline-1,3-dione
CID 140734650
2-[3-[2-(dimethylamino)ethylamino]propyl]benzo[de]isoquinoline-1,3-dione
CID 171358194
3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl-[12-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl-dimethylazaniumyl]dodecyl]-dimethylazanium dibromide
CID 46888353
2-[2-[3-[2-aminoethyl(methyl)amino]propyl-methylamino]ethyl]benzo[de]isoquinoline-1,3-dione
CID 68583900
6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide
CID 5186
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-methylbutanamide
CID 3276380
1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
CID 15023408

Frequently Asked Questions

What is the IUPAC name of 2-[3-[bis(trimethylsilyl)amino]propyl]benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[3-[bis(trimethylsilyl)amino]propyl]benzo[de]isoquinoline-1,3-dione (CID 67079769) is 2-[3-[bis(trimethylsilyl)amino]propyl]benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[3-[bis(trimethylsilyl)amino]propyl]benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[3-[bis(trimethylsilyl)amino]propyl]benzo[de]isoquinoline-1,3-dione is C[Si](C)(C)N(CCCN1C(=O)c2cccc3cccc(c23)C1=O)[Si](C)(C)C.
What is the InChIKey of 2-[3-[bis(trimethylsilyl)amino]propyl]benzo[de]isoquinoline-1,3-dione?
The InChIKey is CQFNYJIVQQBWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2Si2/c1-26(2,3)23(27(4,5)6)15-9-14-22-20(24)17-12-7-10-16-11-8-13-18(19(16)17)21(22)25/h7-8,10-13H,9,14-15H2,1-6H3.
What are the key properties of 2-[3-[bis(trimethylsilyl)amino]propyl]benzo[de]isoquinoline-1,3-dione?
2-[3-[bis(trimethylsilyl)amino]propyl]benzo[de]isoquinoline-1,3-dione has a molecular weight of 398.66 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[bis(trimethylsilyl)amino]propyl]benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 67079769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).