2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione

C24H16N2O3 — CID 9359739

IUPAC2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
SMILESCOc1ccc2cc(/C=N\N3C(=O)c4cccc5cccc(c45)C3=O)ccc2c1
InChIInChI=1S/C24H16N2O3/c1-29-19-11-10-17-12-15(8-9-18(17)13-19)14-25-26-23(27)20-6-2-4-16-5-3-7-21(22(16)20)24(26)28/h2-14H,1H3/b25-14-
InChIKeySPYTXMKTXRSXIB-QFEZKATASA-N
MW380.40 g/mol
LogP4.63
Rot. Bonds3

About 2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione

2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione (PubChem CID 9359739) has the molecular formula C24H16N2O3 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
PubChem CID9359739
Molecular FormulaC24H16N2O3
Molecular Weight380.40 g/mol
Exact Mass380.12
IUPAC Name2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
SMILESCOc1ccc2cc(/C=N\N3C(=O)c4cccc5cccc(c45)C3=O)ccc2c1
InChIInChI=1S/C24H16N2O3/c1-29-19-11-10-17-12-15(8-9-18(17)13-19)14-25-26-23(27)20-6-2-4-16-5-3-7-21(22(16)20)24(26)28/h2-14H,1H3/b25-14-
InChIKeySPYTXMKTXRSXIB-QFEZKATASA-N
XLogP4.63
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.63
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

[4-[(Z)-(1,3-dioxobenzo[de]isoquinolin-2-yl)iminomethyl]-2-methoxyphenyl] acetate
CID 8979943
7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one
CID 134873971
2-[(4-chlorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 689663
2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 23327370
2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 8973003
2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6861399
2-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 9359802
2-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 8979938
2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione
CID 9072493
2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 1098364
2-[(Z)-[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 5440307
2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 5332496

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione (CID 9359739) is 2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione is COc1ccc2cc(/C=N\N3C(=O)c4cccc5cccc(c45)C3=O)ccc2c1.
What is the InChIKey of 2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
The InChIKey is SPYTXMKTXRSXIB-QFEZKATASA-N. The full InChI is InChI=1S/C24H16N2O3/c1-29-19-11-10-17-12-15(8-9-18(17)13-19)14-25-26-23(27)20-6-2-4-16-5-3-7-21(22(16)20)24(26)28/h2-14H,1H3/b25-14-.
What are the key properties of 2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione has a molecular weight of 380.40 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 9359739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).