4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline

C17H15NS — CID 68996867

IUPAC4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNCC2c1ccc2ccsc2c1
InChIInChI=1S/C17H15NS/c1-2-4-15-14(3-1)10-18-11-16(15)13-6-5-12-7-8-19-17(12)9-13/h1-9,16,18H,10-11H2
InChIKeyQZJUQSYGLXPXEE-UHFFFAOYSA-N
MW265.38 g/mol
LogP4.14
Rot. Bonds1

About 4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline

4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 68996867) has the molecular formula C17H15NS and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID68996867
Molecular FormulaC17H15NS
Molecular Weight265.38 g/mol
Exact Mass265.09
IUPAC Name4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNCC2c1ccc2ccsc2c1
InChIInChI=1S/C17H15NS/c1-2-4-15-14(3-1)10-18-11-16(15)13-6-5-12-7-8-19-17(12)9-13/h1-9,16,18H,10-11H2
InChIKeyQZJUQSYGLXPXEE-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline (CID 68996867) is 4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CNCC2c1ccc2ccsc2c1.
What is the InChIKey of 4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QZJUQSYGLXPXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS/c1-2-4-15-14(3-1)10-18-11-16(15)13-6-5-12-7-8-19-17(12)9-13/h1-9,16,18H,10-11H2.
What are the key properties of 4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline?
4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 265.38 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 68996867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).