2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione

C19H20N2O3 — CID 2826521

IUPAC2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1CCCN1CCOCC1
InChIInChI=1S/C19H20N2O3/c22-18-15-6-1-4-14-5-2-7-16(17(14)15)19(23)21(18)9-3-8-20-10-12-24-13-11-20/h1-2,4-7H,3,8-13H2
InChIKeyGQPIEFFYGONFTJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.16
Rot. Bonds4

About 2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione

2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 2826521) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione
PubChem CID2826521
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1CCCN1CCOCC1
InChIInChI=1S/C19H20N2O3/c22-18-15-6-1-4-14-5-2-7-16(17(14)15)19(23)21(18)9-3-8-20-10-12-24-13-11-20/h1-2,4-7H,3,8-13H2
InChIKeyGQPIEFFYGONFTJ-UHFFFAOYSA-N
XLogP2.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.16
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-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione (CID 2826521) is 2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1CCCN1CCOCC1.
What is the InChIKey of 2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is GQPIEFFYGONFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18-15-6-1-4-14-5-2-7-16(17(14)15)19(23)21(18)9-3-8-20-10-12-24-13-11-20/h1-2,4-7H,3,8-13H2.
What are the key properties of 2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione?
2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 324.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 2826521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).