2-[2-(dimethylamino)ethyl]-5-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione

C20H23N3O3 — CID 25183640

IUPAC2-[2-(dimethylamino)ethyl]-5-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
SMILESCN(C)CCN1C(=O)c2cccc3cc(N4CCOCC4)cc(c23)C1=O
InChIInChI=1S/C20H23N3O3/c1-21(2)6-7-23-19(24)16-5-3-4-14-12-15(22-8-10-26-11-9-22)13-17(18(14)16)20(23)25/h3-5,12-13H,6-11H2,1-2H3
InChIKeyGKBXYLXAUQBDDT-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.83
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-5-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione

2-[2-(dimethylamino)ethyl]-5-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione (PubChem CID 25183640) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
PubChem CID25183640
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[2-(dimethylamino)ethyl]-5-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
SMILESCN(C)CCN1C(=O)c2cccc3cc(N4CCOCC4)cc(c23)C1=O
InChIInChI=1S/C20H23N3O3/c1-21(2)6-7-23-19(24)16-5-3-4-14-12-15(22-8-10-26-11-9-22)13-17(18(14)16)20(23)25/h3-5,12-13H,6-11H2,1-2H3
InChIKeyGKBXYLXAUQBDDT-UHFFFAOYSA-N
XLogP1.83
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione (CID 25183640) is 2-[2-(dimethylamino)ethyl]-5-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione is CN(C)CCN1C(=O)c2cccc3cc(N4CCOCC4)cc(c23)C1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is GKBXYLXAUQBDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-21(2)6-7-23-19(24)16-5-3-4-14-12-15(22-8-10-26-11-9-22)13-17(18(14)16)20(23)25/h3-5,12-13H,6-11H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-5-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione?
2-[2-(dimethylamino)ethyl]-5-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 353.42 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 25183640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).