thieno[3,4-a]quinolizin-6-ium

C11H8NS+ — CID 10616469

IUPACthieno[3,4-a]quinolizin-6-ium
SMILESc1cc[n+]2ccc3cscc3c2c1
InChIInChI=1S/C11H8NS/c1-2-5-12-6-4-9-7-13-8-10(9)11(12)3-1/h1-8H/q+1
InChIKeyRCPLRHXASFGZER-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.64
Rot. Bonds

About thieno[3,4-a]quinolizin-6-ium

thieno[3,4-a]quinolizin-6-ium (PubChem CID 10616469) has the molecular formula C11H8NS+ and a molecular weight of 186.26 g/mol. Its IUPAC name is thieno[3,4-a]quinolizin-6-ium.

Molecular Properties

Compound Namethieno[3,4-a]quinolizin-6-ium
PubChem CID10616469
Molecular FormulaC11H8NS+
Molecular Weight186.26 g/mol
Exact Mass186.04
IUPAC Namethieno[3,4-a]quinolizin-6-ium
SMILESc1cc[n+]2ccc3cscc3c2c1
InChIInChI=1S/C11H8NS/c1-2-5-12-6-4-9-7-13-8-10(9)11(12)3-1/h1-8H/q+1
InChIKeyRCPLRHXASFGZER-UHFFFAOYSA-N
XLogP2.64
TPSA4.10 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of thieno[3,4-a]quinolizin-6-ium?
The IUPAC name of thieno[3,4-a]quinolizin-6-ium (CID 10616469) is thieno[3,4-a]quinolizin-6-ium.
What is the SMILES notation for thieno[3,4-a]quinolizin-6-ium?
The canonical SMILES for thieno[3,4-a]quinolizin-6-ium is c1cc[n+]2ccc3cscc3c2c1.
What is the InChIKey of thieno[3,4-a]quinolizin-6-ium?
The InChIKey is RCPLRHXASFGZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8NS/c1-2-5-12-6-4-9-7-13-8-10(9)11(12)3-1/h1-8H/q+1.
What are the key properties of thieno[3,4-a]quinolizin-6-ium?
thieno[3,4-a]quinolizin-6-ium has a molecular weight of 186.26 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,4-a]quinolizin-6-ium is sourced from PubChem (CID 10616469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).