2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride

C18H19ClN2O3 — CID 54688737

IUPAC2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride
SMILESCl.O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C18H18N2O3.ClH/c21-17-14-5-1-3-13-4-2-6-15(16(13)14)18(22)20(17)8-7-19-9-11-23-12-10-19;/h1-6H,7-12H2;1H
InChIKeyWFCHDUDHPJQYKO-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.19
Rot. Bonds3

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

2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride (PubChem CID 54688737) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride
PubChem CID54688737
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride
SMILESCl.O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C18H18N2O3.ClH/c21-17-14-5-1-3-13-4-2-6-15(16(13)14)18(22)20(17)8-7-19-9-11-23-12-10-19;/h1-6H,7-12H2;1H
InChIKeyWFCHDUDHPJQYKO-UHFFFAOYSA-N
XLogP2.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.19
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-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride?
The IUPAC name of 2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride (CID 54688737) is 2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride is Cl.O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride?
The InChIKey is WFCHDUDHPJQYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3.ClH/c21-17-14-5-1-3-13-4-2-6-15(16(13)14)18(22)20(17)8-7-19-9-11-23-12-10-19;/h1-6H,7-12H2;1H.
What are the key properties of 2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride?
2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride has a molecular weight of 346.81 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride is sourced from PubChem (CID 54688737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).