4-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine

C22H24N2OS — CID 56942993

IUPAC4-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
SMILESCN1Cc2cc(N3CCOCC3)ccc2C(c2ccc3sccc3c2)C1
InChIInChI=1S/C22H24N2OS/c1-23-14-18-13-19(24-7-9-25-10-8-24)3-4-20(18)21(15-23)16-2-5-22-17(12-16)6-11-26-22/h2-6,11-13,21H,7-10,14-15H2,1H3
InChIKeyQLQQUDCJVQOCBW-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.32
Rot. Bonds2

About 4-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine

4-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine (PubChem CID 56942993) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is 4-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
PubChem CID56942993
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name4-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
SMILESCN1Cc2cc(N3CCOCC3)ccc2C(c2ccc3sccc3c2)C1
InChIInChI=1S/C22H24N2OS/c1-23-14-18-13-19(24-7-9-25-10-8-24)3-4-20(18)21(15-23)16-2-5-22-17(12-16)6-11-26-22/h2-6,11-13,21H,7-10,14-15H2,1H3
InChIKeyQLQQUDCJVQOCBW-UHFFFAOYSA-N
XLogP4.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine with MolForge

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Related Compounds

4-(1-benzothiophen-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 11588595
4-[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68994725
4-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68994988
4-[(4R)-4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 118710582
2-[[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]ethanol
CID 118710583
4-(1-benzothiophen-2-yl)-2-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 11660289
4-[[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine
CID 68997613
4-[4-(1-benzothiophen-5-yl)-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68993817
4-[4-(1-benzothiophen-5-yl)-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68994283
4-[4-(1-benzothiophen-5-yl)-5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68994483
4-[2-methyl-4-[3-(trifluoromethyl)-1-benzothiophen-5-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68994616
4-[4-(6-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68994756

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
The IUPAC name of 4-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine (CID 56942993) is 4-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
The canonical SMILES for 4-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine is CN1Cc2cc(N3CCOCC3)ccc2C(c2ccc3sccc3c2)C1.
What is the InChIKey of 4-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
The InChIKey is QLQQUDCJVQOCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-23-14-18-13-19(24-7-9-25-10-8-24)3-4-20(18)21(15-23)16-2-5-22-17(12-16)6-11-26-22/h2-6,11-13,21H,7-10,14-15H2,1H3.
What are the key properties of 4-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
4-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine has a molecular weight of 364.51 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine is sourced from PubChem (CID 56942993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).