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

C22H23N3S — CID 10021505

IUPAC4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]thiomorpholine
SMILESC1=C(c2ccc(CN3CCSCC3)cc2)N2CCN=C2c2ccccc21
InChIInChI=1S/C22H23N3S/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
InChIKeyOIDKHURQGVYQBG-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.81
Rot. Bonds3

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

4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]thiomorpholine (PubChem CID 10021505) has the molecular formula C22H23N3S and a molecular weight of 361.51 g/mol. Its IUPAC name is 4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]thiomorpholine.

Molecular Properties

Compound Name4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]thiomorpholine
PubChem CID10021505
Molecular FormulaC22H23N3S
Molecular Weight361.51 g/mol
Exact Mass361.16
IUPAC Name4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]thiomorpholine
SMILESC1=C(c2ccc(CN3CCSCC3)cc2)N2CCN=C2c2ccccc21
InChIInChI=1S/C22H23N3S/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
InChIKeyOIDKHURQGVYQBG-UHFFFAOYSA-N
XLogP3.81
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.81
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]thiomorpholine?
The IUPAC name of 4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]thiomorpholine (CID 10021505) is 4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]thiomorpholine.
What is the SMILES notation for 4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]thiomorpholine?
The canonical SMILES for 4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]thiomorpholine is C1=C(c2ccc(CN3CCSCC3)cc2)N2CCN=C2c2ccccc21.
What is the InChIKey of 4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]thiomorpholine?
The InChIKey is OIDKHURQGVYQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3S/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]thiomorpholine?
4-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]thiomorpholine has a molecular weight of 361.51 g/mol, XLogP of 3.81, 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]thiomorpholine is sourced from PubChem (CID 10021505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).