2-[2-(dimethylamino)ethyl]-5-(furan-2-yl)benzo[de]isoquinoline-1,3-dione

C20H18N2O3 — CID 11359560

IUPAC2-[2-(dimethylamino)ethyl]-5-(furan-2-yl)benzo[de]isoquinoline-1,3-dione
SMILESCN(C)CCN1C(=O)c2cccc3cc(-c4ccco4)cc(c23)C1=O
InChIInChI=1S/C20H18N2O3/c1-21(2)8-9-22-19(23)15-6-3-5-13-11-14(17-7-4-10-25-17)12-16(18(13)15)20(22)24/h3-7,10-12H,8-9H2,1-2H3
InChIKeyDTUYPECWAYXFGV-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.26
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-5-(furan-2-yl)benzo[de]isoquinoline-1,3-dione

2-[2-(dimethylamino)ethyl]-5-(furan-2-yl)benzo[de]isoquinoline-1,3-dione (PubChem CID 11359560) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5-(furan-2-yl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5-(furan-2-yl)benzo[de]isoquinoline-1,3-dione
PubChem CID11359560
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-[2-(dimethylamino)ethyl]-5-(furan-2-yl)benzo[de]isoquinoline-1,3-dione
SMILESCN(C)CCN1C(=O)c2cccc3cc(-c4ccco4)cc(c23)C1=O
InChIInChI=1S/C20H18N2O3/c1-21(2)8-9-22-19(23)15-6-3-5-13-11-14(17-7-4-10-25-17)12-16(18(13)15)20(22)24/h3-7,10-12H,8-9H2,1-2H3
InChIKeyDTUYPECWAYXFGV-UHFFFAOYSA-N
XLogP3.26
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-(dimethylamino)ethyl]-5-(furan-2-yl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5-(furan-2-yl)benzo[de]isoquinoline-1,3-dione (CID 11359560) is 2-[2-(dimethylamino)ethyl]-5-(furan-2-yl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5-(furan-2-yl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5-(furan-2-yl)benzo[de]isoquinoline-1,3-dione is CN(C)CCN1C(=O)c2cccc3cc(-c4ccco4)cc(c23)C1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5-(furan-2-yl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is DTUYPECWAYXFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-21(2)8-9-22-19(23)15-6-3-5-13-11-14(17-7-4-10-25-17)12-16(18(13)15)20(22)24/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-5-(furan-2-yl)benzo[de]isoquinoline-1,3-dione?
2-[2-(dimethylamino)ethyl]-5-(furan-2-yl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 334.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5-(furan-2-yl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 11359560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).