4-[4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine

C23H26N2O2S — CID 68997345

IUPAC4-[4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
SMILESCOc1c(N2CCOCC2)ccc2c1CN(C)CC2c1ccc2ccsc2c1
InChIInChI=1S/C23H26N2O2S/c1-24-14-19(17-4-3-16-7-12-28-22(16)13-17)18-5-6-21(23(26-2)20(18)15-24)25-8-10-27-11-9-25/h3-7,12-13,19H,8-11,14-15H2,1-2H3
InChIKeyRMQYQSCMIXRGDX-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.32
Rot. Bonds3

About 4-[4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine

4-[4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine (PubChem CID 68997345) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is 4-[4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
PubChem CID68997345
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name4-[4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
SMILESCOc1c(N2CCOCC2)ccc2c1CN(C)CC2c1ccc2ccsc2c1
InChIInChI=1S/C23H26N2O2S/c1-24-14-19(17-4-3-16-7-12-28-22(16)13-17)18-5-6-21(23(26-2)20(18)15-24)25-8-10-27-11-9-25/h3-7,12-13,19H,8-11,14-15H2,1-2H3
InChIKeyRMQYQSCMIXRGDX-UHFFFAOYSA-N
XLogP4.32
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine with MolForge

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Related Compounds

4-(1-benzothiophen-6-yl)-2-methyl-7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-8-ol
CID 68995480
4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-7-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline
CID 68995518
4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine
CID 68994440
4-[4-(1H-indazol-6-yl)-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68997653
4-(1-benzothiophen-6-yl)-8-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68994313
[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methanamine
CID 69000689
4-(1-benzothiophen-5-yl)-2,8-dimethyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline
CID 69001253
4-(1-benzothiophen-5-yl)-7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68999429
4-(1-benzothiophen-5-yl)-8-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68997342
4-[6-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68994396
4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68993734
2-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N,N-dimethylpropan-2-amine
CID 68994368

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
The IUPAC name of 4-[4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine (CID 68997345) is 4-[4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
The canonical SMILES for 4-[4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine is COc1c(N2CCOCC2)ccc2c1CN(C)CC2c1ccc2ccsc2c1.
What is the InChIKey of 4-[4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
The InChIKey is RMQYQSCMIXRGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-24-14-19(17-4-3-16-7-12-28-22(16)13-17)18-5-6-21(23(26-2)20(18)15-24)25-8-10-27-11-9-25/h3-7,12-13,19H,8-11,14-15H2,1-2H3.
What are the key properties of 4-[4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
4-[4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine has a molecular weight of 394.54 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine is sourced from PubChem (CID 68997345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).