2-[3-(dimethylamino)propyl]benzo[de]isoquinoline-1,3-dione

C17H18N2O2 — CID 2834616

IUPAC2-[3-(dimethylamino)propyl]benzo[de]isoquinoline-1,3-dione
SMILESCN(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O
InChIInChI=1S/C17H18N2O2/c1-18(2)10-5-11-19-16(20)13-8-3-6-12-7-4-9-14(15(12)13)17(19)21/h3-4,6-9H,5,10-11H2,1-2H3
InChIKeyJFMVGTHZMQOEEU-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.39
Rot. Bonds4

About 2-[3-(dimethylamino)propyl]benzo[de]isoquinoline-1,3-dione

2-[3-(dimethylamino)propyl]benzo[de]isoquinoline-1,3-dione (PubChem CID 2834616) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]benzo[de]isoquinoline-1,3-dione
PubChem CID2834616
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[3-(dimethylamino)propyl]benzo[de]isoquinoline-1,3-dione
SMILESCN(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O
InChIInChI=1S/C17H18N2O2/c1-18(2)10-5-11-19-16(20)13-8-3-6-12-7-4-9-14(15(12)13)17(19)21/h3-4,6-9H,5,10-11H2,1-2H3
InChIKeyJFMVGTHZMQOEEU-UHFFFAOYSA-N
XLogP2.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[3-(dimethylamino)propyl]benzo[de]isoquinoline-1,3-dione (CID 2834616) is 2-[3-(dimethylamino)propyl]benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[3-(dimethylamino)propyl]benzo[de]isoquinoline-1,3-dione is CN(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O.
What is the InChIKey of 2-[3-(dimethylamino)propyl]benzo[de]isoquinoline-1,3-dione?
The InChIKey is JFMVGTHZMQOEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-18(2)10-5-11-19-16(20)13-8-3-6-12-7-4-9-14(15(12)13)17(19)21/h3-4,6-9H,5,10-11H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propyl]benzo[de]isoquinoline-1,3-dione?
2-[3-(dimethylamino)propyl]benzo[de]isoquinoline-1,3-dione has a molecular weight of 282.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 2834616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).