2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione

C17H14N2O4 — CID 6861399

IUPAC2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESCOc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)c(OC)c1
InChIInChI=1S/C17H14N2O4/c1-22-12-8-7-11(15(9-12)23-2)10-18-19-16(20)13-5-3-4-6-14(13)17(19)21/h3-10H,1-2H3/b18-10+
InChIKeyLTQWSOUXBKJSKO-VCHYOVAHSA-N
MW310.31 g/mol
LogP2.33
Rot. Bonds4

About 2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione

2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 6861399) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione
PubChem CID6861399
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESCOc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)c(OC)c1
InChIInChI=1S/C17H14N2O4/c1-22-12-8-7-11(15(9-12)23-2)10-18-19-16(20)13-5-3-4-6-14(13)17(19)21/h3-10H,1-2H3/b18-10+
InChIKeyLTQWSOUXBKJSKO-VCHYOVAHSA-N
XLogP2.33
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6298578
2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione
CID 9072493
2-[(2,4-dipropoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 2378288
(1R,2R,6S,7R)-4-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124536078
2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 8973003
1-(2,4-dimethoxyphenyl)-N-methylmethanimine
CID 518060
(1S,2R,6R,7S,8R,10R)-4-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124763293
3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 4302099
2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione
CID 5394460
2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 135852605
2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 9359739
2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 9359802

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione (CID 6861399) is 2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione is COc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)c(OC)c1.
What is the InChIKey of 2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is LTQWSOUXBKJSKO-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-22-12-8-7-11(15(9-12)23-2)10-18-19-16(20)13-5-3-4-6-14(13)17(19)21/h3-10H,1-2H3/b18-10+.
What are the key properties of 2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione?
2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione has a molecular weight of 310.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 6861399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).