2-propoxybenzo[de]isoquinoline-1,3-dione

C15H13NO3 — CID 20686261

IUPAC2-propoxybenzo[de]isoquinoline-1,3-dione
SMILESCCCON1C(=O)c2cccc3cccc(c23)C1=O
InChIInChI=1S/C15H13NO3/c1-2-9-19-16-14(17)11-7-3-5-10-6-4-8-12(13(10)11)15(16)18/h3-8H,2,9H2,1H3
InChIKeyJAXOAKQDZBQLBO-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.78
Rot. Bonds3

About 2-propoxybenzo[de]isoquinoline-1,3-dione

2-propoxybenzo[de]isoquinoline-1,3-dione (PubChem CID 20686261) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-propoxybenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-propoxybenzo[de]isoquinoline-1,3-dione
PubChem CID20686261
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-propoxybenzo[de]isoquinoline-1,3-dione
SMILESCCCON1C(=O)c2cccc3cccc(c23)C1=O
InChIInChI=1S/C15H13NO3/c1-2-9-19-16-14(17)11-7-3-5-10-6-4-8-12(13(10)11)15(16)18/h3-8H,2,9H2,1H3
InChIKeyJAXOAKQDZBQLBO-UHFFFAOYSA-N
XLogP2.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethoxy)benzo[de]isoquinoline-1,3-dione
CID 22909408
2-(4-butoxyphenyl)benzo[de]isoquinoline-1,3-dione
CID 3613062
3-propoxyphenalen-1-one
CID 2825197
N,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione
CID 160559905
5-propoxy-2-(trifluoromethylsulfanyloxy)benzo[de]isoquinoline-1,3-dione
CID 129270765
2-(4-octoxyphenyl)benzo[de]isoquinoline-1,3-dione
CID 4280854
2-hydroxy-4-propoxybenzo[de]isoquinoline-1,3-dione
CID 163206395
2-[2-(propylamino)ethyl]benzo[de]isoquinoline-1,3-dione
CID 53348110
N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide
CID 67455194
2-[3-(propylamino)propoxy]isoindole-1,3-dione
CID 59259670
2-[2-(diethylamino)ethoxy]isoindole-1,3-dione
CID 15918162
zinc;carbanide;5-methyl-2-phenylmethoxybenzo[de]isoquinoline-1,3-dione
CID 158477036

Frequently Asked Questions

What is the IUPAC name of 2-propoxybenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-propoxybenzo[de]isoquinoline-1,3-dione (CID 20686261) is 2-propoxybenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-propoxybenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-propoxybenzo[de]isoquinoline-1,3-dione is CCCON1C(=O)c2cccc3cccc(c23)C1=O.
What is the InChIKey of 2-propoxybenzo[de]isoquinoline-1,3-dione?
The InChIKey is JAXOAKQDZBQLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-2-9-19-16-14(17)11-7-3-5-10-6-4-8-12(13(10)11)15(16)18/h3-8H,2,9H2,1H3.
What are the key properties of 2-propoxybenzo[de]isoquinoline-1,3-dione?
2-propoxybenzo[de]isoquinoline-1,3-dione has a molecular weight of 255.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxybenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 20686261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).