thieno[2,3-c]isoquinoline

C11H7NS — CID 14452373

IUPACthieno[2,3-c]isoquinoline
SMILESc1ccc2c(c1)cnc1sccc12
InChIInChI=1S/C11H7NS/c1-2-4-9-8(3-1)7-12-11-10(9)5-6-13-11/h1-7H
InChIKeyPKHHCZYTAHQZJN-UHFFFAOYSA-N
MW185.25 g/mol
LogP3.45
Rot. Bonds

About thieno[2,3-c]isoquinoline

thieno[2,3-c]isoquinoline (PubChem CID 14452373) has the molecular formula C11H7NS and a molecular weight of 185.25 g/mol. Its IUPAC name is thieno[2,3-c]isoquinoline.

Molecular Properties

Compound Namethieno[2,3-c]isoquinoline
PubChem CID14452373
Molecular FormulaC11H7NS
Molecular Weight185.25 g/mol
Exact Mass185.03
IUPAC Namethieno[2,3-c]isoquinoline
SMILESc1ccc2c(c1)cnc1sccc12
InChIInChI=1S/C11H7NS/c1-2-4-9-8(3-1)7-12-11-10(9)5-6-13-11/h1-7H
InChIKeyPKHHCZYTAHQZJN-UHFFFAOYSA-N
XLogP3.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thieno[2,3-c]isoquinoline?
The IUPAC name of thieno[2,3-c]isoquinoline (CID 14452373) is thieno[2,3-c]isoquinoline.
What is the SMILES notation for thieno[2,3-c]isoquinoline?
The canonical SMILES for thieno[2,3-c]isoquinoline is c1ccc2c(c1)cnc1sccc12.
What is the InChIKey of thieno[2,3-c]isoquinoline?
The InChIKey is PKHHCZYTAHQZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NS/c1-2-4-9-8(3-1)7-12-11-10(9)5-6-13-11/h1-7H.
What are the key properties of thieno[2,3-c]isoquinoline?
thieno[2,3-c]isoquinoline has a molecular weight of 185.25 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-c]isoquinoline is sourced from PubChem (CID 14452373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).