6-methoxy-2-(4-methoxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione

C21H17NO4 — CID 102445374

IUPAC6-methoxy-2-(4-methoxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione
SMILESCOc1ccc(N2C(=O)c3cccc4c(OC)ccc(c34)C2=O)c(C)c1
InChIInChI=1S/C21H17NO4/c1-12-11-13(25-2)7-9-17(12)22-20(23)15-6-4-5-14-18(26-3)10-8-16(19(14)15)21(22)24/h4-11H,1-3H3
InChIKeyDWDBJTRLNVFGED-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.97
Rot. Bonds3

About 6-methoxy-2-(4-methoxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione

6-methoxy-2-(4-methoxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 102445374) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is 6-methoxy-2-(4-methoxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-methoxy-2-(4-methoxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione
PubChem CID102445374
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name6-methoxy-2-(4-methoxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione
SMILESCOc1ccc(N2C(=O)c3cccc4c(OC)ccc(c34)C2=O)c(C)c1
InChIInChI=1S/C21H17NO4/c1-12-11-13(25-2)7-9-17(12)22-20(23)15-6-4-5-14-18(26-3)10-8-16(19(14)15)21(22)24/h4-11H,1-3H3
InChIKeyDWDBJTRLNVFGED-UHFFFAOYSA-N
XLogP3.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methoxy-2-(4-methoxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione with MolForge

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Related Compounds

6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione
CID 11428149
6-methoxyphenalene-1,3-dione
CID 22763709
6-amino-2-(2,4-dimethylphenyl)benzo[de]isoquinoline-1,3-dione;6-amino-2-(4-methoxy-3-methylphenyl)-1,3-dioxobenzo[de]isoquinoline-5-sulfonic acid;6-amino-2-(4-methylphenyl)-1,3-dioxobenzo[de]isoquinoline-5-sulfonic acid
CID 158550664
4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione
CID 832150
2-butanoyl-6-methoxybenzo[de]isoquinoline-1,3-dione
CID 175451304
2-(4-methoxyphenyl)-6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 1367305
6-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 3576682
sodium 6-amino-2-(2,4-dimethylphenyl)-1,3-dioxobenzo[de]isoquinoline-5-sulfonate
CID 5133466
4-(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid
CID 102004284
1-(2,5-dimethoxyphenyl)indole-2,3-dione
CID 53359249
2-[4-(2,2-difluoroethoxy)-2-methylphenyl]isoindole-1,3-dione
CID 168519278
2-[3-(3,4-dimethylphenoxy)phenyl]-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 17297086

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methoxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-methoxy-2-(4-methoxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione (CID 102445374) is 6-methoxy-2-(4-methoxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-methoxy-2-(4-methoxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-methoxy-2-(4-methoxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione is COc1ccc(N2C(=O)c3cccc4c(OC)ccc(c34)C2=O)c(C)c1.
What is the InChIKey of 6-methoxy-2-(4-methoxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is DWDBJTRLNVFGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c1-12-11-13(25-2)7-9-17(12)22-20(23)15-6-4-5-14-18(26-3)10-8-16(19(14)15)21(22)24/h4-11H,1-3H3.
What are the key properties of 6-methoxy-2-(4-methoxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione?
6-methoxy-2-(4-methoxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 347.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methoxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 102445374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).