2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one

C12H11NOS — CID 170057452

IUPAC2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one
SMILESO=c1[nH]c2ccccc2c2c1CCCS2
InChIInChI=1S/C12H11NOS/c14-12-9-5-3-7-15-11(9)8-4-1-2-6-10(8)13-12/h1-2,4,6H,3,5,7H2,(H,13,14)
InChIKeyKXBFBUJBTZFCLM-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.57
Rot. Bonds

About 2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one

2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one (PubChem CID 170057452) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one.

Molecular Properties

Compound Name2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one
PubChem CID170057452
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one
SMILESO=c1[nH]c2ccccc2c2c1CCCS2
InChIInChI=1S/C12H11NOS/c14-12-9-5-3-7-15-11(9)8-4-1-2-6-10(8)13-12/h1-2,4,6H,3,5,7H2,(H,13,14)
InChIKeyKXBFBUJBTZFCLM-UHFFFAOYSA-N
XLogP2.57
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one?
The IUPAC name of 2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one (CID 170057452) is 2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one.
What is the SMILES notation for 2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one?
The canonical SMILES for 2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one is O=c1[nH]c2ccccc2c2c1CCCS2.
What is the InChIKey of 2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one?
The InChIKey is KXBFBUJBTZFCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c14-12-9-5-3-7-15-11(9)8-4-1-2-6-10(8)13-12/h1-2,4,6H,3,5,7H2,(H,13,14).
What are the key properties of 2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one?
2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one has a molecular weight of 217.29 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one is sourced from PubChem (CID 170057452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).