2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione

C22H18N2O5 — CID 9359802

IUPAC2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
SMILESCOc1ccc(/C=N\N2C(=O)c3cccc4cccc(c34)C2=O)c(OC)c1OC
InChIInChI=1S/C22H18N2O5/c1-27-17-11-10-14(19(28-2)20(17)29-3)12-23-24-21(25)15-8-4-6-13-7-5-9-16(18(13)15)22(24)26/h4-12H,1-3H3/b23-12-
InChIKeyNWEFDORBYOMFBM-FMCGGJTJSA-N
MW390.40 g/mol
LogP3.50
Rot. Bonds5

About 2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione

2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione (PubChem CID 9359802) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
PubChem CID9359802
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
SMILESCOc1ccc(/C=N\N2C(=O)c3cccc4cccc(c34)C2=O)c(OC)c1OC
InChIInChI=1S/C22H18N2O5/c1-27-17-11-10-14(19(28-2)20(17)29-3)12-23-24-21(25)15-8-4-6-13-7-5-9-16(18(13)15)22(24)26/h4-12H,1-3H3/b23-12-
InChIKeyNWEFDORBYOMFBM-FMCGGJTJSA-N
XLogP3.50
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.50
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-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(Z)-(1,3-dioxobenzo[de]isoquinolin-2-yl)iminomethyl]-2-methoxyphenyl] acetate
CID 8979943
2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6298578
2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione
CID 5404063
2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6861399
2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 23327370
2-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 8979938
(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
CID 5402147
2-[(4-chlorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 689663
2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 8973003
6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024403
3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19589115
1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine
CID 71343645

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione (CID 9359802) is 2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione is COc1ccc(/C=N\N2C(=O)c3cccc4cccc(c34)C2=O)c(OC)c1OC.
What is the InChIKey of 2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
The InChIKey is NWEFDORBYOMFBM-FMCGGJTJSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-27-17-11-10-14(19(28-2)20(17)29-3)12-23-24-21(25)15-8-4-6-13-7-5-9-16(18(13)15)22(24)26/h4-12H,1-3H3/b23-12-.
What are the key properties of 2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione has a molecular weight of 390.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 9359802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).