3-benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindol-1-one

C22H26N2O3 — CID 623769

IUPAC3-benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindol-1-one
SMILESO=C1c2ccccc2C(O)(Cc2ccccc2)N1CCCN1CCOCC1
InChIInChI=1S/C22H26N2O3/c25-21-19-9-4-5-10-20(19)22(26,17-18-7-2-1-3-8-18)24(21)12-6-11-23-13-15-27-16-14-23/h1-5,7-10,26H,6,11-17H2
InChIKeyQXNASVJEXMXHKJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.25
Rot. Bonds6

About 3-benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindol-1-one

3-benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindol-1-one (PubChem CID 623769) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindol-1-one.

Molecular Properties

Compound Name3-benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindol-1-one
PubChem CID623769
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindol-1-one
SMILESO=C1c2ccccc2C(O)(Cc2ccccc2)N1CCCN1CCOCC1
InChIInChI=1S/C22H26N2O3/c25-21-19-9-4-5-10-20(19)22(26,17-18-7-2-1-3-8-18)24(21)12-6-11-23-13-15-27-16-14-23/h1-5,7-10,26H,6,11-17H2
InChIKeyQXNASVJEXMXHKJ-UHFFFAOYSA-N
XLogP2.25
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindol-1-one?
The IUPAC name of 3-benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindol-1-one (CID 623769) is 3-benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindol-1-one.
What is the SMILES notation for 3-benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindol-1-one?
The canonical SMILES for 3-benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindol-1-one is O=C1c2ccccc2C(O)(Cc2ccccc2)N1CCCN1CCOCC1.
What is the InChIKey of 3-benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindol-1-one?
The InChIKey is QXNASVJEXMXHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-21-19-9-4-5-10-20(19)22(26,17-18-7-2-1-3-8-18)24(21)12-6-11-23-13-15-27-16-14-23/h1-5,7-10,26H,6,11-17H2.
What are the key properties of 3-benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindol-1-one?
3-benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindol-1-one has a molecular weight of 366.46 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindol-1-one is sourced from PubChem (CID 623769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).