4-(3-trimethoxysilylpropyl)benzo[de]isoquinoline-1,3-dione

C18H21NO5Si — CID 22630477

IUPAC4-(3-trimethoxysilylpropyl)benzo[de]isoquinoline-1,3-dione
SMILESCO[Si](CCCc1ccc2cccc3c2c1C(=O)NC3=O)(OC)OC
InChIInChI=1S/C18H21NO5Si/c1-22-25(23-2,24-3)11-5-7-13-10-9-12-6-4-8-14-15(12)16(13)18(21)19-17(14)20/h4,6,8-10H,5,7,11H2,1-3H3,(H,19,20,21)
InChIKeyOETMZEKCFJXBNQ-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.53
Rot. Bonds7

About 4-(3-trimethoxysilylpropyl)benzo[de]isoquinoline-1,3-dione

4-(3-trimethoxysilylpropyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 22630477) has the molecular formula C18H21NO5Si and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-(3-trimethoxysilylpropyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name4-(3-trimethoxysilylpropyl)benzo[de]isoquinoline-1,3-dione
PubChem CID22630477
Molecular FormulaC18H21NO5Si
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name4-(3-trimethoxysilylpropyl)benzo[de]isoquinoline-1,3-dione
SMILESCO[Si](CCCc1ccc2cccc3c2c1C(=O)NC3=O)(OC)OC
InChIInChI=1S/C18H21NO5Si/c1-22-25(23-2,24-3)11-5-7-13-10-9-12-6-4-8-14-15(12)16(13)18(21)19-17(14)20/h4,6,8-10H,5,7,11H2,1-3H3,(H,19,20,21)
InChIKeyOETMZEKCFJXBNQ-UHFFFAOYSA-N
XLogP2.53
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-trimethoxysilylpropyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 4-(3-trimethoxysilylpropyl)benzo[de]isoquinoline-1,3-dione (CID 22630477) is 4-(3-trimethoxysilylpropyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 4-(3-trimethoxysilylpropyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 4-(3-trimethoxysilylpropyl)benzo[de]isoquinoline-1,3-dione is CO[Si](CCCc1ccc2cccc3c2c1C(=O)NC3=O)(OC)OC.
What is the InChIKey of 4-(3-trimethoxysilylpropyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is OETMZEKCFJXBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5Si/c1-22-25(23-2,24-3)11-5-7-13-10-9-12-6-4-8-14-15(12)16(13)18(21)19-17(14)20/h4,6,8-10H,5,7,11H2,1-3H3,(H,19,20,21).
What are the key properties of 4-(3-trimethoxysilylpropyl)benzo[de]isoquinoline-1,3-dione?
4-(3-trimethoxysilylpropyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 359.45 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-trimethoxysilylpropyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 22630477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).