4-acetylbenzo[de]isoquinoline-1,3-dione

C14H9NO3 — CID 66889339

IUPAC4-acetylbenzo[de]isoquinoline-1,3-dione
SMILESCC(=O)c1ccc2cccc3c2c1C(=O)NC3=O
InChIInChI=1S/C14H9NO3/c1-7(16)9-6-5-8-3-2-4-10-11(8)12(9)14(18)15-13(10)17/h2-6H,1H3,(H,15,17,18)
InChIKeyFYDYALZEDYEXNV-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.93
Rot. Bonds1

About 4-acetylbenzo[de]isoquinoline-1,3-dione

4-acetylbenzo[de]isoquinoline-1,3-dione (PubChem CID 66889339) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-acetylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name4-acetylbenzo[de]isoquinoline-1,3-dione
PubChem CID66889339
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name4-acetylbenzo[de]isoquinoline-1,3-dione
SMILESCC(=O)c1ccc2cccc3c2c1C(=O)NC3=O
InChIInChI=1S/C14H9NO3/c1-7(16)9-6-5-8-3-2-4-10-11(8)12(9)14(18)15-13(10)17/h2-6H,1H3,(H,15,17,18)
InChIKeyFYDYALZEDYEXNV-UHFFFAOYSA-N
XLogP1.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Naphthalimide
CID 66491
Perylenediimide
CID 66475
Isoquinoline-1,3,4-trione
CID 10640
N-Hydroxynaphthalimide
CID 82263
3-Azatricyclo[7.3.1.0,5,13]trideca-1(12),5(13),6,8,10-pentaen-2-one
CID 10130246
2,3-Naphthalenedicarboximide
CID 335194
2-(3-Dimethylamino-propyl)-benzo[de]isoquinoline-1,3-dione
CID 2834616
n,n-(1,8-naphthalyl)hydroxylamine sodium salt
CID 23689369
2-[2-(Propylamino)ethyl]benzo[de]isoquinoline-1,3-dione
CID 53348110
15-[2-(Dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),8,10,12-pentaene-14,16-dione
CID 10358765
(1,3-Dioxobenzo[de]isoquinolin-2-yl) acetate
CID 304928
2-(Methylamino)benzo[de]isoquinoline-1,3-dione
CID 2731651

Frequently Asked Questions

What is the IUPAC name of 4-acetylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 4-acetylbenzo[de]isoquinoline-1,3-dione (CID 66889339) is 4-acetylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 4-acetylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 4-acetylbenzo[de]isoquinoline-1,3-dione is CC(=O)c1ccc2cccc3c2c1C(=O)NC3=O.
What is the InChIKey of 4-acetylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is FYDYALZEDYEXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c1-7(16)9-6-5-8-3-2-4-10-11(8)12(9)14(18)15-13(10)17/h2-6H,1H3,(H,15,17,18).
What are the key properties of 4-acetylbenzo[de]isoquinoline-1,3-dione?
4-acetylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 239.23 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 66889339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).