4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]morpholine

C22H23N3O — CID 10066158

IUPAC4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]morpholine
SMILESC1=C(c2ccc(CN3CCOCC3)cc2)N2CCN=C2c2ccccc21
InChIInChI=1S/C22H23N3O/c1-2-4-20-19(3-1)15-21(25-10-9-23-22(20)25)18-7-5-17(6-8-18)16-24-11-13-26-14-12-24/h1-8,15H,9-14,16H2
InChIKeyJARRQWMNGRXVAY-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.09
Rot. Bonds3

About 4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]morpholine

4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]morpholine (PubChem CID 10066158) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]morpholine
PubChem CID10066158
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]morpholine
SMILESC1=C(c2ccc(CN3CCOCC3)cc2)N2CCN=C2c2ccccc21
InChIInChI=1S/C22H23N3O/c1-2-4-20-19(3-1)15-21(25-10-9-23-22(20)25)18-7-5-17(6-8-18)16-24-11-13-26-14-12-24/h1-8,15H,9-14,16H2
InChIKeyJARRQWMNGRXVAY-UHFFFAOYSA-N
XLogP3.09
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]morpholine (CID 10066158) is 4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]morpholine is C1=C(c2ccc(CN3CCOCC3)cc2)N2CCN=C2c2ccccc21.
What is the InChIKey of 4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]morpholine?
The InChIKey is JARRQWMNGRXVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-4-20-19(3-1)15-21(25-10-9-23-22(20)25)18-7-5-17(6-8-18)16-24-11-13-26-14-12-24/h1-8,15H,9-14,16H2.
What are the key properties of 4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]morpholine?
4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]morpholine has a molecular weight of 345.45 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 10066158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).