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

C20H14ClNO2 — CID 2952615

IUPAC6-chloro-2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(Cl)ccc(c23)C(=O)N1CCc1ccccc1
InChIInChI=1S/C20H14ClNO2/c21-17-10-9-16-18-14(17)7-4-8-15(18)19(23)22(20(16)24)12-11-13-5-2-1-3-6-13/h1-10H,11-12H2
InChIKeyYXWBUEYSWMJULC-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.33
Rot. Bonds3

About 6-chloro-2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione

6-chloro-2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 2952615) has the molecular formula C20H14ClNO2 and a molecular weight of 335.79 g/mol. Its IUPAC name is 6-chloro-2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-chloro-2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione
PubChem CID2952615
Molecular FormulaC20H14ClNO2
Molecular Weight335.79 g/mol
Exact Mass335.07
IUPAC Name6-chloro-2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(Cl)ccc(c23)C(=O)N1CCc1ccccc1
InChIInChI=1S/C20H14ClNO2/c21-17-10-9-16-18-14(17)7-4-8-15(18)19(23)22(20(16)24)12-11-13-5-2-1-3-6-13/h1-10H,11-12H2
InChIKeyYXWBUEYSWMJULC-UHFFFAOYSA-N
XLogP4.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-chloro-2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione (CID 2952615) is 6-chloro-2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-chloro-2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-chloro-2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione is O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1CCc1ccccc1.
What is the InChIKey of 6-chloro-2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is YXWBUEYSWMJULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO2/c21-17-10-9-16-18-14(17)7-4-8-15(18)19(23)22(20(16)24)12-11-13-5-2-1-3-6-13/h1-10H,11-12H2.
What are the key properties of 6-chloro-2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione?
6-chloro-2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 335.79 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 2952615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).