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

C19H13NO3 — CID 747246

IUPAC2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione
SMILESCOc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1
InChIInChI=1S/C19H13NO3/c1-23-14-10-8-13(9-11-14)20-18(21)15-6-2-4-12-5-3-7-16(17(12)15)19(20)22/h2-11H,1H3
InChIKeyRUXPKYQZKBBXBF-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.65
Rot. Bonds2

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

2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 747246) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione
PubChem CID747246
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione
SMILESCOc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1
InChIInChI=1S/C19H13NO3/c1-23-14-10-8-13(9-11-14)20-18(21)15-6-2-4-12-5-3-7-16(17(12)15)19(20)22/h2-11H,1H3
InChIKeyRUXPKYQZKBBXBF-UHFFFAOYSA-N
XLogP3.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.65
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)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione (CID 747246) is 2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione is COc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is RUXPKYQZKBBXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c1-23-14-10-8-13(9-11-14)20-18(21)15-6-2-4-12-5-3-7-16(17(12)15)19(20)22/h2-11H,1H3.
What are the key properties of 2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione?
2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 303.32 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 747246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).