6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione

C23H15NO3 — CID 11428149

IUPAC6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione
SMILESCOc1ccc2c3c(cccc13)C(=O)N(c1ccc3ccccc3c1)C2=O
InChIInChI=1S/C23H15NO3/c1-27-20-12-11-19-21-17(20)7-4-8-18(21)22(25)24(23(19)26)16-10-9-14-5-2-3-6-15(14)13-16/h2-13H,1H3
InChIKeyVJRFDXLXQMWHFG-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.80
Rot. Bonds2

About 6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione

6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione (PubChem CID 11428149) has the molecular formula C23H15NO3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione
PubChem CID11428149
Molecular FormulaC23H15NO3
Molecular Weight353.38 g/mol
Exact Mass353.11
IUPAC Name6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione
SMILESCOc1ccc2c3c(cccc13)C(=O)N(c1ccc3ccccc3c1)C2=O
InChIInChI=1S/C23H15NO3/c1-27-20-12-11-19-21-17(20)7-4-8-18(21)22(25)24(23(19)26)16-10-9-14-5-2-3-6-15(14)13-16/h2-13H,1H3
InChIKeyVJRFDXLXQMWHFG-UHFFFAOYSA-N
XLogP4.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.80
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 6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione (CID 11428149) is 6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione is COc1ccc2c3c(cccc13)C(=O)N(c1ccc3ccccc3c1)C2=O.
What is the InChIKey of 6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is VJRFDXLXQMWHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO3/c1-27-20-12-11-19-21-17(20)7-4-8-18(21)22(25)24(23(19)26)16-10-9-14-5-2-3-6-15(14)13-16/h2-13H,1H3.
What are the key properties of 6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione?
6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 353.38 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 11428149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).