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

C19H18N2O4 — CID 2839452

IUPAC2-(3-morpholin-4-yl-3-oxopropyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCOCC1
InChIInChI=1S/C19H18N2O4/c22-16(20-9-11-25-12-10-20)7-8-21-18(23)14-5-1-3-13-4-2-6-15(17(13)14)19(21)24/h1-6H,7-12H2
InChIKeyJXROZXKRAHUZBJ-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.68
Rot. Bonds3

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

2-(3-morpholin-4-yl-3-oxopropyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 2839452) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-(3-morpholin-4-yl-3-oxopropyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(3-morpholin-4-yl-3-oxopropyl)benzo[de]isoquinoline-1,3-dione
PubChem CID2839452
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-(3-morpholin-4-yl-3-oxopropyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCOCC1
InChIInChI=1S/C19H18N2O4/c22-16(20-9-11-25-12-10-20)7-8-21-18(23)14-5-1-3-13-4-2-6-15(17(13)14)19(21)24/h1-6H,7-12H2
InChIKeyJXROZXKRAHUZBJ-UHFFFAOYSA-N
XLogP1.68
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.68
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-yl-3-oxopropyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(3-morpholin-4-yl-3-oxopropyl)benzo[de]isoquinoline-1,3-dione (CID 2839452) is 2-(3-morpholin-4-yl-3-oxopropyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(3-morpholin-4-yl-3-oxopropyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(3-morpholin-4-yl-3-oxopropyl)benzo[de]isoquinoline-1,3-dione is O=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCOCC1.
What is the InChIKey of 2-(3-morpholin-4-yl-3-oxopropyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is JXROZXKRAHUZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-16(20-9-11-25-12-10-20)7-8-21-18(23)14-5-1-3-13-4-2-6-15(17(13)14)19(21)24/h1-6H,7-12H2.
What are the key properties of 2-(3-morpholin-4-yl-3-oxopropyl)benzo[de]isoquinoline-1,3-dione?
2-(3-morpholin-4-yl-3-oxopropyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 338.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-yl-3-oxopropyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 2839452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).