8-methoxy-3-thiophen-2-ylisoquinoline

C14H11NOS — CID 163359838

IUPAC8-methoxy-3-thiophen-2-ylisoquinoline
SMILESCOc1cccc2cc(-c3cccs3)ncc12
InChIInChI=1S/C14H11NOS/c1-16-13-5-2-4-10-8-12(15-9-11(10)13)14-6-3-7-17-14/h2-9H,1H3
InChIKeyQKZPUJIOCVABAV-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.97
Rot. Bonds2

About 8-methoxy-3-thiophen-2-ylisoquinoline

8-methoxy-3-thiophen-2-ylisoquinoline (PubChem CID 163359838) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 8-methoxy-3-thiophen-2-ylisoquinoline.

Molecular Properties

Compound Name8-methoxy-3-thiophen-2-ylisoquinoline
PubChem CID163359838
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name8-methoxy-3-thiophen-2-ylisoquinoline
SMILESCOc1cccc2cc(-c3cccs3)ncc12
InChIInChI=1S/C14H11NOS/c1-16-13-5-2-4-10-8-12(15-9-11(10)13)14-6-3-7-17-14/h2-9H,1H3
InChIKeyQKZPUJIOCVABAV-UHFFFAOYSA-N
XLogP3.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-thiophen-2-ylisoquinoline?
The IUPAC name of 8-methoxy-3-thiophen-2-ylisoquinoline (CID 163359838) is 8-methoxy-3-thiophen-2-ylisoquinoline.
What is the SMILES notation for 8-methoxy-3-thiophen-2-ylisoquinoline?
The canonical SMILES for 8-methoxy-3-thiophen-2-ylisoquinoline is COc1cccc2cc(-c3cccs3)ncc12.
What is the InChIKey of 8-methoxy-3-thiophen-2-ylisoquinoline?
The InChIKey is QKZPUJIOCVABAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-16-13-5-2-4-10-8-12(15-9-11(10)13)14-6-3-7-17-14/h2-9H,1H3.
What are the key properties of 8-methoxy-3-thiophen-2-ylisoquinoline?
8-methoxy-3-thiophen-2-ylisoquinoline has a molecular weight of 241.32 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-thiophen-2-ylisoquinoline is sourced from PubChem (CID 163359838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).