6-(1-benzothiophen-5-yl)-3,4-dihydroisoquinoline

C17H13NS — CID 175935426

IUPAC6-(1-benzothiophen-5-yl)-3,4-dihydroisoquinoline
SMILESC1=NCCc2cc(-c3ccc4sccc4c3)ccc21
InChIInChI=1S/C17H13NS/c1-2-16-11-18-7-5-14(16)9-12(1)13-3-4-17-15(10-13)6-8-19-17/h1-4,6,8-11H,5,7H2
InChIKeyMUVAMTVNJPPRKS-UHFFFAOYSA-N
MW263.37 g/mol
LogP4.54
Rot. Bonds1

About 6-(1-benzothiophen-5-yl)-3,4-dihydroisoquinoline

6-(1-benzothiophen-5-yl)-3,4-dihydroisoquinoline (PubChem CID 175935426) has the molecular formula C17H13NS and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-(1-benzothiophen-5-yl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-(1-benzothiophen-5-yl)-3,4-dihydroisoquinoline
PubChem CID175935426
Molecular FormulaC17H13NS
Molecular Weight263.37 g/mol
Exact Mass263.08
IUPAC Name6-(1-benzothiophen-5-yl)-3,4-dihydroisoquinoline
SMILESC1=NCCc2cc(-c3ccc4sccc4c3)ccc21
InChIInChI=1S/C17H13NS/c1-2-16-11-18-7-5-14(16)9-12(1)13-3-4-17-15(10-13)6-8-19-17/h1-4,6,8-11H,5,7H2
InChIKeyMUVAMTVNJPPRKS-UHFFFAOYSA-N
XLogP4.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-5-yl)-3,4-dihydroisoquinoline?
The IUPAC name of 6-(1-benzothiophen-5-yl)-3,4-dihydroisoquinoline (CID 175935426) is 6-(1-benzothiophen-5-yl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-(1-benzothiophen-5-yl)-3,4-dihydroisoquinoline?
The canonical SMILES for 6-(1-benzothiophen-5-yl)-3,4-dihydroisoquinoline is C1=NCCc2cc(-c3ccc4sccc4c3)ccc21.
What is the InChIKey of 6-(1-benzothiophen-5-yl)-3,4-dihydroisoquinoline?
The InChIKey is MUVAMTVNJPPRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NS/c1-2-16-11-18-7-5-14(16)9-12(1)13-3-4-17-15(10-13)6-8-19-17/h1-4,6,8-11H,5,7H2.
What are the key properties of 6-(1-benzothiophen-5-yl)-3,4-dihydroisoquinoline?
6-(1-benzothiophen-5-yl)-3,4-dihydroisoquinoline has a molecular weight of 263.37 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-5-yl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 175935426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).