2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione

C18H16N2O3 — CID 2813240

IUPAC2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1N1CCOCC1
InChIInChI=1S/C18H16N2O3/c21-17-13-5-1-2-6-14(13)18(22)20(17)16-8-4-3-7-15(16)19-9-11-23-12-10-19/h1-8H,9-12H2
InChIKeyZLXIDAZBOAJXGH-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.32
Rot. Bonds2

About 2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione

2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione (PubChem CID 2813240) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione
PubChem CID2813240
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1N1CCOCC1
InChIInChI=1S/C18H16N2O3/c21-17-13-5-1-2-6-14(13)18(22)20(17)16-8-4-3-7-15(16)19-9-11-23-12-10-19/h1-8H,9-12H2
InChIKeyZLXIDAZBOAJXGH-UHFFFAOYSA-N
XLogP2.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.32
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-ylphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione (CID 2813240) is 2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccccc1N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione?
The InChIKey is ZLXIDAZBOAJXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-17-13-5-1-2-6-14(13)18(22)20(17)16-8-4-3-7-15(16)19-9-11-23-12-10-19/h1-8H,9-12H2.
What are the key properties of 2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione?
2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione has a molecular weight of 308.34 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 2813240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).