4-[2-[4-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.1.0]hexa-1,3,5-trien-3-yl]ethyl]morpholine

C22H21N3O — CID 70114078

IUPAC4-[2-[4-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.1.0]hexa-1,3,5-trien-3-yl]ethyl]morpholine
SMILESc1ccc(-c2cncc(-c3c4cc-4nc3CCN3CCOCC3)c2)cc1
InChIInChI=1S/C22H21N3O/c1-2-4-16(5-3-1)17-12-18(15-23-14-17)22-19-13-21(19)24-20(22)6-7-25-8-10-26-11-9-25/h1-5,12-15H,6-11H2
InChIKeyGLCUCXGLPLCFEF-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.67
Rot. Bonds5

About 4-[2-[4-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.1.0]hexa-1,3,5-trien-3-yl]ethyl]morpholine

4-[2-[4-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.1.0]hexa-1,3,5-trien-3-yl]ethyl]morpholine (PubChem CID 70114078) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[2-[4-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.1.0]hexa-1,3,5-trien-3-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.1.0]hexa-1,3,5-trien-3-yl]ethyl]morpholine
PubChem CID70114078
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name4-[2-[4-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.1.0]hexa-1,3,5-trien-3-yl]ethyl]morpholine
SMILESc1ccc(-c2cncc(-c3c4cc-4nc3CCN3CCOCC3)c2)cc1
InChIInChI=1S/C22H21N3O/c1-2-4-16(5-3-1)17-12-18(15-23-14-17)22-19-13-21(19)24-20(22)6-7-25-8-10-26-11-9-25/h1-5,12-15H,6-11H2
InChIKeyGLCUCXGLPLCFEF-UHFFFAOYSA-N
XLogP3.67
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.1.0]hexa-1,3,5-trien-3-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.1.0]hexa-1,3,5-trien-3-yl]ethyl]morpholine (CID 70114078) is 4-[2-[4-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.1.0]hexa-1,3,5-trien-3-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.1.0]hexa-1,3,5-trien-3-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.1.0]hexa-1,3,5-trien-3-yl]ethyl]morpholine is c1ccc(-c2cncc(-c3c4cc-4nc3CCN3CCOCC3)c2)cc1.
What is the InChIKey of 4-[2-[4-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.1.0]hexa-1,3,5-trien-3-yl]ethyl]morpholine?
The InChIKey is GLCUCXGLPLCFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-2-4-16(5-3-1)17-12-18(15-23-14-17)22-19-13-21(19)24-20(22)6-7-25-8-10-26-11-9-25/h1-5,12-15H,6-11H2.
What are the key properties of 4-[2-[4-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.1.0]hexa-1,3,5-trien-3-yl]ethyl]morpholine?
4-[2-[4-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.1.0]hexa-1,3,5-trien-3-yl]ethyl]morpholine has a molecular weight of 343.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.1.0]hexa-1,3,5-trien-3-yl]ethyl]morpholine is sourced from PubChem (CID 70114078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).