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

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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).