2-(1,3-dioxobenzo[de]isoquinolin-4-yl)benzo[de]isoquinoline-1,3-dione

C24H12N2O4 — CID 54485073

IUPAC2-(1,3-dioxobenzo[de]isoquinolin-4-yl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1NC(=O)c2c(N3C(=O)c4cccc5cccc(c45)C3=O)ccc3cccc1c23
InChIInChI=1S/C24H12N2O4/c27-21-14-7-1-6-13-10-11-17(20(19(13)14)22(28)25-21)26-23(29)15-8-2-4-12-5-3-9-16(18(12)15)24(26)30/h1-11H,(H,25,27,28)
InChIKeyMKUSOGKPJIQVHM-UHFFFAOYSA-N
MW392.37 g/mol
LogP3.68
Rot. Bonds1

About 2-(1,3-dioxobenzo[de]isoquinolin-4-yl)benzo[de]isoquinoline-1,3-dione

2-(1,3-dioxobenzo[de]isoquinolin-4-yl)benzo[de]isoquinoline-1,3-dione (PubChem CID 54485073) has the molecular formula C24H12N2O4 and a molecular weight of 392.37 g/mol. Its IUPAC name is 2-(1,3-dioxobenzo[de]isoquinolin-4-yl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(1,3-dioxobenzo[de]isoquinolin-4-yl)benzo[de]isoquinoline-1,3-dione
PubChem CID54485073
Molecular FormulaC24H12N2O4
Molecular Weight392.37 g/mol
Exact Mass392.08
IUPAC Name2-(1,3-dioxobenzo[de]isoquinolin-4-yl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1NC(=O)c2c(N3C(=O)c4cccc5cccc(c45)C3=O)ccc3cccc1c23
InChIInChI=1S/C24H12N2O4/c27-21-14-7-1-6-13-10-11-17(20(19(13)14)22(28)25-21)26-23(29)15-8-2-4-12-5-3-9-16(18(12)15)24(26)30/h1-11H,(H,25,27,28)
InChIKeyMKUSOGKPJIQVHM-UHFFFAOYSA-N
XLogP3.68
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1,3-dioxobenzo[de]isoquinolin-4-yl)benzo[de]isoquinoline-1,3-dione with MolForge

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Related Compounds

benzo[de]isoquinoline-1,3-dione;nickel
CID 175169723
2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione
CID 13202311
2-pyren-1-ylbenzo[de]isoquinoline-1,3-dione
CID 102336570
4-(4-prop-2-enylpiperazin-1-yl)benzo[de]isoquinoline-1,3-dione
CID 123260237
(1,3-dioxobenzo[de]isoquinolin-4-yl) thiohypochlorite
CID 88812913
4-acetylbenzo[de]isoquinoline-1,3-dione
CID 66889339
4-(2-aminophenyl)benzo[de]isoquinoline-1,3-dione
CID 68917144
2-[2-chloro-4-[3-chloro-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]phenyl]benzo[de]isoquinoline-1,3-dione
CID 2845100
4-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione
CID 140906853
6-(2-aminophenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 126549663
benzo[de]isoquinoline-1,3-dione;pyrimidin-2-amine
CID 174839176
2-(2,3,4,5,6-pentamethylphenyl)benzo[de]isoquinoline-1,3-dione
CID 132965970

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxobenzo[de]isoquinolin-4-yl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(1,3-dioxobenzo[de]isoquinolin-4-yl)benzo[de]isoquinoline-1,3-dione (CID 54485073) is 2-(1,3-dioxobenzo[de]isoquinolin-4-yl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(1,3-dioxobenzo[de]isoquinolin-4-yl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(1,3-dioxobenzo[de]isoquinolin-4-yl)benzo[de]isoquinoline-1,3-dione is O=C1NC(=O)c2c(N3C(=O)c4cccc5cccc(c45)C3=O)ccc3cccc1c23.
What is the InChIKey of 2-(1,3-dioxobenzo[de]isoquinolin-4-yl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is MKUSOGKPJIQVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12N2O4/c27-21-14-7-1-6-13-10-11-17(20(19(13)14)22(28)25-21)26-23(29)15-8-2-4-12-5-3-9-16(18(12)15)24(26)30/h1-11H,(H,25,27,28).
What are the key properties of 2-(1,3-dioxobenzo[de]isoquinolin-4-yl)benzo[de]isoquinoline-1,3-dione?
2-(1,3-dioxobenzo[de]isoquinolin-4-yl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 392.37 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxobenzo[de]isoquinolin-4-yl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 54485073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).