2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione

C20H15NO2 — CID 7178340

IUPAC2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1CCc1ccccc1
InChIInChI=1S/C20H15NO2/c22-19-16-10-4-8-15-9-5-11-17(18(15)16)20(23)21(19)13-12-14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyZFDSPMWGSWVSQU-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.68
Rot. Bonds3

About 2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione

2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 7178340) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione
PubChem CID7178340
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1CCc1ccccc1
InChIInChI=1S/C20H15NO2/c22-19-16-10-4-8-15-9-5-11-17(18(15)16)20(23)21(19)13-12-14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyZFDSPMWGSWVSQU-UHFFFAOYSA-N
XLogP3.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Alrestatin
CID 2120
Naphthalimide
CID 66491
Virstatin
CID 145949
Scriptaid
CID 5186
Perylenediimide
CID 66475
2,9-dimethylanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone
CID 79657
N-Hydroxynaphthalimide
CID 82263
Elinafide
CID 444912
Naphthalenediimide
CID 157464
Bunaftine
CID 36131
3-Azatricyclo[7.3.1.0,5,13]trideca-1(12),5(13),6,8,10-pentaen-2-one
CID 10130246
2-Benzylisoquinoline-1,3,4-trione
CID 11357566

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione (CID 7178340) is 2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is ZFDSPMWGSWVSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c22-19-16-10-4-8-15-9-5-11-17(18(15)16)20(23)21(19)13-12-14-6-2-1-3-7-14/h1-11H,12-13H2.
What are the key properties of 2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione?
2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 301.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 7178340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).