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'}

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

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Related Compounds

SDZ-62-434 free
CID 9801987
5-(4-tert-Butyl-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10065779
1-(2-morpholinoethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
CID 663369
5-(4-(Piperidin-1-ylmethyl)phenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline hydrochloride
CID 45488194
4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine
CID 818746
5-p-Tolyl-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10015480
Diallyl-[4-(2,3-dihydro-imidazo[2,1-a]isoquinolin-5-yl)-benzyl]-amine
CID 10021121
5-(4-Thiomorpholin-4-ylmethyl-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10021505
5-Biphenyl-4-yl-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10314059
5-(4-Ethyl-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10423490
1-[3-(morpholin-4-yl)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
CID 663906
5-[4-(2-Methyl-piperidin-1-ylmethyl)-phenyl]-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 9998465

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).