2-(2-morpholin-4-ylethyl)-6-(4-trimethylsilyloxyphenyl)benzo[de]isoquinoline-1,3-dione

C27H30N2O4Si — CID 102368939

IUPAC2-(2-morpholin-4-ylethyl)-6-(4-trimethylsilyloxyphenyl)benzo[de]isoquinoline-1,3-dione
SMILESC[Si](C)(C)Oc1ccc(-c2ccc3c4c(cccc24)C(=O)N(CCN2CCOCC2)C3=O)cc1
InChIInChI=1S/C27H30N2O4Si/c1-34(2,3)33-20-9-7-19(8-10-20)21-11-12-24-25-22(21)5-4-6-23(25)26(30)29(27(24)31)14-13-28-15-17-32-18-16-28/h4-12H,13-18H2,1-3H3
InChIKeyRGCUVFKTWPCHIT-UHFFFAOYSA-N
MW474.63 g/mol
LogP4.65
Rot. Bonds6

About 2-(2-morpholin-4-ylethyl)-6-(4-trimethylsilyloxyphenyl)benzo[de]isoquinoline-1,3-dione

2-(2-morpholin-4-ylethyl)-6-(4-trimethylsilyloxyphenyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 102368939) has the molecular formula C27H30N2O4Si and a molecular weight of 474.63 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-6-(4-trimethylsilyloxyphenyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-6-(4-trimethylsilyloxyphenyl)benzo[de]isoquinoline-1,3-dione
PubChem CID102368939
Molecular FormulaC27H30N2O4Si
Molecular Weight474.63 g/mol
Exact Mass474.20
IUPAC Name2-(2-morpholin-4-ylethyl)-6-(4-trimethylsilyloxyphenyl)benzo[de]isoquinoline-1,3-dione
SMILESC[Si](C)(C)Oc1ccc(-c2ccc3c4c(cccc24)C(=O)N(CCN2CCOCC2)C3=O)cc1
InChIInChI=1S/C27H30N2O4Si/c1-34(2,3)33-20-9-7-19(8-10-20)21-11-12-24-25-22(21)5-4-6-23(25)26(30)29(27(24)31)14-13-28-15-17-32-18-16-28/h4-12H,13-18H2,1-3H3
InChIKeyRGCUVFKTWPCHIT-UHFFFAOYSA-N
XLogP4.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-morpholin-4-ylethyl)-6-(4-trimethylsilyloxyphenyl)benzo[de]isoquinoline-1,3-dione with MolForge

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Related Compounds

2-(2-morpholin-4-ylethyl)-6-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]benzo[de]isoquinoline-1,3-dione
CID 162640328
6-hydrazinyl-2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione
CID 132937127
2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 54688737
6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione
CID 6125753
6-(3-cyclohexylbenzimidazol-5-yl)-2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione
CID 155806246
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl acetate
CID 541279
3-chloro-4-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110583194
2-(2-morpholin-4-ylethyl)-5-nitrobenzo[de]isoquinoline-1,3-dione
CID 12680935
2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione
CID 3389100
3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110547147
3-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl 4-phenylbenzoate
CID 5194188

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-6-(4-trimethylsilyloxyphenyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-6-(4-trimethylsilyloxyphenyl)benzo[de]isoquinoline-1,3-dione (CID 102368939) is 2-(2-morpholin-4-ylethyl)-6-(4-trimethylsilyloxyphenyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-6-(4-trimethylsilyloxyphenyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-6-(4-trimethylsilyloxyphenyl)benzo[de]isoquinoline-1,3-dione is C[Si](C)(C)Oc1ccc(-c2ccc3c4c(cccc24)C(=O)N(CCN2CCOCC2)C3=O)cc1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-6-(4-trimethylsilyloxyphenyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is RGCUVFKTWPCHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4Si/c1-34(2,3)33-20-9-7-19(8-10-20)21-11-12-24-25-22(21)5-4-6-23(25)26(30)29(27(24)31)14-13-28-15-17-32-18-16-28/h4-12H,13-18H2,1-3H3.
What are the key properties of 2-(2-morpholin-4-ylethyl)-6-(4-trimethylsilyloxyphenyl)benzo[de]isoquinoline-1,3-dione?
2-(2-morpholin-4-ylethyl)-6-(4-trimethylsilyloxyphenyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 474.63 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-6-(4-trimethylsilyloxyphenyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 102368939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).