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

C23H26N2OS — CID 68998088

IUPAC4-[[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine
SMILESCN1Cc2cc(CN3CCOCC3)ccc2C(c2cc3ccccc3s2)C1
InChIInChI=1S/C23H26N2OS/c1-24-15-19-12-17(14-25-8-10-26-11-9-25)6-7-20(19)21(16-24)23-13-18-4-2-3-5-22(18)27-23/h2-7,12-13,21H,8-11,14-16H2,1H3
InChIKeyQMOZFCXYKWWVFV-UHFFFAOYSA-N
MW378.54 g/mol
LogP4.31
Rot. Bonds3

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

4-[[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine (PubChem CID 68998088) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is 4-[[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine
PubChem CID68998088
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC Name4-[[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine
SMILESCN1Cc2cc(CN3CCOCC3)ccc2C(c2cc3ccccc3s2)C1
InChIInChI=1S/C23H26N2OS/c1-24-15-19-12-17(14-25-8-10-26-11-9-25)6-7-20(19)21(16-24)23-13-18-4-2-3-5-22(18)27-23/h2-7,12-13,21H,8-11,14-16H2,1H3
InChIKeyQMOZFCXYKWWVFV-UHFFFAOYSA-N
XLogP4.31
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine?
The IUPAC name of 4-[[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine (CID 68998088) is 4-[[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine is CN1Cc2cc(CN3CCOCC3)ccc2C(c2cc3ccccc3s2)C1.
What is the InChIKey of 4-[[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine?
The InChIKey is QMOZFCXYKWWVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-24-15-19-12-17(14-25-8-10-26-11-9-25)6-7-20(19)21(16-24)23-13-18-4-2-3-5-22(18)27-23/h2-7,12-13,21H,8-11,14-16H2,1H3.
What are the key properties of 4-[[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine?
4-[[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine has a molecular weight of 378.54 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine is sourced from PubChem (CID 68998088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).