2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione

C20H14N2O3 — CID 5404063

IUPAC2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione
SMILESCOc1ccc2ccccc2c1/C=N\N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H14N2O3/c1-25-18-11-10-13-6-2-3-7-14(13)17(18)12-21-22-19(23)15-8-4-5-9-16(15)20(22)24/h2-12H,1H3/b21-12-
InChIKeyOVFVEZFVGFVKPH-MTJSOVHGSA-N
MW330.34 g/mol
LogP3.48
Rot. Bonds3

About 2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione

2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione (PubChem CID 5404063) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione
PubChem CID5404063
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione
SMILESCOc1ccc2ccccc2c1/C=N\N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H14N2O3/c1-25-18-11-10-13-6-2-3-7-14(13)17(18)12-21-22-19(23)15-8-4-5-9-16(15)20(22)24/h2-12H,1H3/b21-12-
InChIKeyOVFVEZFVGFVKPH-MTJSOVHGSA-N
XLogP3.48
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione
CID 2305885
(1R,2S,6S,7R)-4-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124538063
(1R,2S,6S,7R,8S,10S)-4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98072526
[1-[(1,3-dioxoisoindol-2-yl)iminomethyl]naphthalen-2-yl] 4-nitrobenzenesulfonate
CID 3618072
2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6298578
N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 708036
3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one
CID 5423325
2-[(2-ethoxynaphthalen-1-yl)methylideneamino]-5-nitrobenzo[de]isoquinoline-1,3-dione
CID 23735286
[1-[(1,3-dioxoisoindol-2-yl)iminomethyl]naphthalen-2-yl] 3-nitrobenzoate
CID 3507317
2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 8973003
2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 9359802
3-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one
CID 23376507

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione (CID 5404063) is 2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione is COc1ccc2ccccc2c1/C=N\N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione?
The InChIKey is OVFVEZFVGFVKPH-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H14N2O3/c1-25-18-11-10-13-6-2-3-7-14(13)17(18)12-21-22-19(23)15-8-4-5-9-16(15)20(22)24/h2-12H,1H3/b21-12-.
What are the key properties of 2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione?
2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione has a molecular weight of 330.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 5404063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).