3-hydroxy-2-(4-morpholin-4-ylphenyl)-3-phenylisoindol-1-one

C24H22N2O3 — CID 2974612

IUPAC3-hydroxy-2-(4-morpholin-4-ylphenyl)-3-phenylisoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccccc2)N1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H22N2O3/c27-23-21-8-4-5-9-22(21)24(28,18-6-2-1-3-7-18)26(23)20-12-10-19(11-13-20)25-14-16-29-17-15-25/h1-13,28H,14-17H2
InChIKeyUXMCLRZRQIQQEA-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.38
Rot. Bonds3

About 3-hydroxy-2-(4-morpholin-4-ylphenyl)-3-phenylisoindol-1-one

3-hydroxy-2-(4-morpholin-4-ylphenyl)-3-phenylisoindol-1-one (PubChem CID 2974612) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-hydroxy-2-(4-morpholin-4-ylphenyl)-3-phenylisoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(4-morpholin-4-ylphenyl)-3-phenylisoindol-1-one
PubChem CID2974612
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name3-hydroxy-2-(4-morpholin-4-ylphenyl)-3-phenylisoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccccc2)N1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H22N2O3/c27-23-21-8-4-5-9-22(21)24(28,18-6-2-1-3-7-18)26(23)20-12-10-19(11-13-20)25-14-16-29-17-15-25/h1-13,28H,14-17H2
InChIKeyUXMCLRZRQIQQEA-UHFFFAOYSA-N
XLogP3.38
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-hydroxy-2-(4-morpholin-4-ylphenyl)-3-phenylisoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-morpholin-4-ylphenyl)-3-phenylisoindol-1-one?
The IUPAC name of 3-hydroxy-2-(4-morpholin-4-ylphenyl)-3-phenylisoindol-1-one (CID 2974612) is 3-hydroxy-2-(4-morpholin-4-ylphenyl)-3-phenylisoindol-1-one.
What is the SMILES notation for 3-hydroxy-2-(4-morpholin-4-ylphenyl)-3-phenylisoindol-1-one?
The canonical SMILES for 3-hydroxy-2-(4-morpholin-4-ylphenyl)-3-phenylisoindol-1-one is O=C1c2ccccc2C(O)(c2ccccc2)N1c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-hydroxy-2-(4-morpholin-4-ylphenyl)-3-phenylisoindol-1-one?
The InChIKey is UXMCLRZRQIQQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-23-21-8-4-5-9-22(21)24(28,18-6-2-1-3-7-18)26(23)20-12-10-19(11-13-20)25-14-16-29-17-15-25/h1-13,28H,14-17H2.
What are the key properties of 3-hydroxy-2-(4-morpholin-4-ylphenyl)-3-phenylisoindol-1-one?
3-hydroxy-2-(4-morpholin-4-ylphenyl)-3-phenylisoindol-1-one has a molecular weight of 386.45 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-morpholin-4-ylphenyl)-3-phenylisoindol-1-one is sourced from PubChem (CID 2974612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).