2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione

C22H16N2O5 — CID 23327370

IUPAC2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
SMILESCOc1cc(C=NN2C(=O)c3cccc4cccc(c34)C2=O)cc2c1OCCO2
InChIInChI=1S/C22H16N2O5/c1-27-17-10-13(11-18-20(17)29-9-8-28-18)12-23-24-21(25)15-6-2-4-14-5-3-7-16(19(14)15)22(24)26/h2-7,10-12H,8-9H2,1H3
InChIKeyRDISBZBJYIDZLX-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.25
Rot. Bonds3

About 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione

2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione (PubChem CID 23327370) has the molecular formula C22H16N2O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
PubChem CID23327370
Molecular FormulaC22H16N2O5
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC Name2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
SMILESCOc1cc(C=NN2C(=O)c3cccc4cccc(c34)C2=O)cc2c1OCCO2
InChIInChI=1S/C22H16N2O5/c1-27-17-10-13(11-18-20(17)29-9-8-28-18)12-23-24-21(25)15-6-2-4-14-5-3-7-16(19(14)15)22(24)26/h2-7,10-12H,8-9H2,1H3
InChIKeyRDISBZBJYIDZLX-UHFFFAOYSA-N
XLogP3.25
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione with MolForge

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Related Compounds

[4-[(Z)-(1,3-dioxobenzo[de]isoquinolin-2-yl)iminomethyl]-2-methoxyphenyl] acetate
CID 8979943
2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 9359739
2-[(4-chlorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 689663
5-(furan-2-yl)-3-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 9299028
3-(3-fluorophenyl)-4-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 9239919
2-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 8979938
2-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]guanidine
CID 9057956
(4Z)-2-(2-chlorophenyl)-4-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylidene]-1,3-oxazol-5-one
CID 26475473
[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9072432
4-[(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 5214394
2-(1,3-benzodioxol-5-ylmethylideneamino)-5-nitrobenzo[de]isoquinoline-1,3-dione
CID 5162308
2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 8973003

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione (CID 23327370) is 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione is COc1cc(C=NN2C(=O)c3cccc4cccc(c34)C2=O)cc2c1OCCO2.
What is the InChIKey of 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
The InChIKey is RDISBZBJYIDZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O5/c1-27-17-10-13(11-18-20(17)29-9-8-28-18)12-23-24-21(25)15-6-2-4-14-5-3-7-16(19(14)15)22(24)26/h2-7,10-12H,8-9H2,1H3.
What are the key properties of 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione has a molecular weight of 388.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 23327370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).