2-methylsulfanylquinolizin-4-one

C10H9NOS — CID 56617488

IUPAC2-methylsulfanylquinolizin-4-one
SMILESCSc1cc(=O)n2ccccc2c1
InChIInChI=1S/C10H9NOS/c1-13-9-6-8-4-2-3-5-11(8)10(12)7-9/h2-7H,1H3
InChIKeyNNVCOCUMWKITIN-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.02
Rot. Bonds1

About 2-methylsulfanylquinolizin-4-one

2-methylsulfanylquinolizin-4-one (PubChem CID 56617488) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-methylsulfanylquinolizin-4-one.

Molecular Properties

Compound Name2-methylsulfanylquinolizin-4-one
PubChem CID56617488
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name2-methylsulfanylquinolizin-4-one
SMILESCSc1cc(=O)n2ccccc2c1
InChIInChI=1S/C10H9NOS/c1-13-9-6-8-4-2-3-5-11(8)10(12)7-9/h2-7H,1H3
InChIKeyNNVCOCUMWKITIN-UHFFFAOYSA-N
XLogP2.02
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylquinolizin-4-one?
The IUPAC name of 2-methylsulfanylquinolizin-4-one (CID 56617488) is 2-methylsulfanylquinolizin-4-one.
What is the SMILES notation for 2-methylsulfanylquinolizin-4-one?
The canonical SMILES for 2-methylsulfanylquinolizin-4-one is CSc1cc(=O)n2ccccc2c1.
What is the InChIKey of 2-methylsulfanylquinolizin-4-one?
The InChIKey is NNVCOCUMWKITIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-13-9-6-8-4-2-3-5-11(8)10(12)7-9/h2-7H,1H3.
What are the key properties of 2-methylsulfanylquinolizin-4-one?
2-methylsulfanylquinolizin-4-one has a molecular weight of 191.25 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylquinolizin-4-one is sourced from PubChem (CID 56617488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).