2-[(4-methoxyphenyl)methyl]benzo[de]isoquinoline-1,3-dione

C20H15NO3 — CID 2939282

IUPAC2-[(4-methoxyphenyl)methyl]benzo[de]isoquinoline-1,3-dione
SMILESCOc1ccc(CN2C(=O)c3cccc4cccc(c34)C2=O)cc1
InChIInChI=1S/C20H15NO3/c1-24-15-10-8-13(9-11-15)12-21-19(22)16-6-2-4-14-5-3-7-17(18(14)16)20(21)23/h2-11H,12H2,1H3
InChIKeyIQOALYXGGXPZQO-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.64
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]benzo[de]isoquinoline-1,3-dione

2-[(4-methoxyphenyl)methyl]benzo[de]isoquinoline-1,3-dione (PubChem CID 2939282) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]benzo[de]isoquinoline-1,3-dione
PubChem CID2939282
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name2-[(4-methoxyphenyl)methyl]benzo[de]isoquinoline-1,3-dione
SMILESCOc1ccc(CN2C(=O)c3cccc4cccc(c34)C2=O)cc1
InChIInChI=1S/C20H15NO3/c1-24-15-10-8-13(9-11-15)12-21-19(22)16-6-2-4-14-5-3-7-17(18(14)16)20(21)23/h2-11H,12H2,1H3
InChIKeyIQOALYXGGXPZQO-UHFFFAOYSA-N
XLogP3.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]benzo[de]isoquinoline-1,3-dione (CID 2939282) is 2-[(4-methoxyphenyl)methyl]benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]benzo[de]isoquinoline-1,3-dione is COc1ccc(CN2C(=O)c3cccc4cccc(c34)C2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]benzo[de]isoquinoline-1,3-dione?
The InChIKey is IQOALYXGGXPZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c1-24-15-10-8-13(9-11-15)12-21-19(22)16-6-2-4-14-5-3-7-17(18(14)16)20(21)23/h2-11H,12H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]benzo[de]isoquinoline-1,3-dione?
2-[(4-methoxyphenyl)methyl]benzo[de]isoquinoline-1,3-dione has a molecular weight of 317.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 2939282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).