4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine

C23H21N3O — CID 157153991

IUPAC4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
SMILESc1ccc(-c2ccc3c(c2)CN=C3c2ccnc(N3CCOCC3)c2)cc1
InChIInChI=1S/C23H21N3O/c1-2-4-17(5-3-1)18-6-7-21-20(14-18)16-25-23(21)19-8-9-24-22(15-19)26-10-12-27-13-11-26/h1-9,14-15H,10-13,16H2
InChIKeyVLEWNVXOFPARIR-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.94
Rot. Bonds3

About 4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine

4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine (PubChem CID 157153991) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
PubChem CID157153991
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
SMILESc1ccc(-c2ccc3c(c2)CN=C3c2ccnc(N3CCOCC3)c2)cc1
InChIInChI=1S/C23H21N3O/c1-2-4-17(5-3-1)18-6-7-21-20(14-18)16-25-23(21)19-8-9-24-22(15-19)26-10-12-27-13-11-26/h1-9,14-15H,10-13,16H2
InChIKeyVLEWNVXOFPARIR-UHFFFAOYSA-N
XLogP3.94
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine (CID 157153991) is 4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine is c1ccc(-c2ccc3c(c2)CN=C3c2ccnc(N3CCOCC3)c2)cc1.
What is the InChIKey of 4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
The InChIKey is VLEWNVXOFPARIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-2-4-17(5-3-1)18-6-7-21-20(14-18)16-25-23(21)19-8-9-24-22(15-19)26-10-12-27-13-11-26/h1-9,14-15H,10-13,16H2.
What are the key properties of 4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine has a molecular weight of 355.44 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 157153991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).