8-methoxy-3-(5-methylthiophen-2-yl)isoquinoline

C15H13NOS — CID 163359845

IUPAC8-methoxy-3-(5-methylthiophen-2-yl)isoquinoline
SMILESCOc1cccc2cc(-c3ccc(C)s3)ncc12
InChIInChI=1S/C15H13NOS/c1-10-6-7-15(18-10)13-8-11-4-3-5-14(17-2)12(11)9-16-13/h3-9H,1-2H3
InChIKeyAANKOATZNLJIPB-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.28
Rot. Bonds2

About 8-methoxy-3-(5-methylthiophen-2-yl)isoquinoline

8-methoxy-3-(5-methylthiophen-2-yl)isoquinoline (PubChem CID 163359845) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 8-methoxy-3-(5-methylthiophen-2-yl)isoquinoline.

Molecular Properties

Compound Name8-methoxy-3-(5-methylthiophen-2-yl)isoquinoline
PubChem CID163359845
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name8-methoxy-3-(5-methylthiophen-2-yl)isoquinoline
SMILESCOc1cccc2cc(-c3ccc(C)s3)ncc12
InChIInChI=1S/C15H13NOS/c1-10-6-7-15(18-10)13-8-11-4-3-5-14(17-2)12(11)9-16-13/h3-9H,1-2H3
InChIKeyAANKOATZNLJIPB-UHFFFAOYSA-N
XLogP4.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(5-methylthiophen-2-yl)isoquinoline?
The IUPAC name of 8-methoxy-3-(5-methylthiophen-2-yl)isoquinoline (CID 163359845) is 8-methoxy-3-(5-methylthiophen-2-yl)isoquinoline.
What is the SMILES notation for 8-methoxy-3-(5-methylthiophen-2-yl)isoquinoline?
The canonical SMILES for 8-methoxy-3-(5-methylthiophen-2-yl)isoquinoline is COc1cccc2cc(-c3ccc(C)s3)ncc12.
What is the InChIKey of 8-methoxy-3-(5-methylthiophen-2-yl)isoquinoline?
The InChIKey is AANKOATZNLJIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-10-6-7-15(18-10)13-8-11-4-3-5-14(17-2)12(11)9-16-13/h3-9H,1-2H3.
What are the key properties of 8-methoxy-3-(5-methylthiophen-2-yl)isoquinoline?
8-methoxy-3-(5-methylthiophen-2-yl)isoquinoline has a molecular weight of 255.34 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(5-methylthiophen-2-yl)isoquinoline is sourced from PubChem (CID 163359845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).