9-hydroxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one

C12H11NO2S — CID 42605563

IUPAC9-hydroxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESO=c1[nH]c2ccc(O)cc2c2c1CSCC2
InChIInChI=1S/C12H11NO2S/c14-7-1-2-11-9(5-7)8-3-4-16-6-10(8)12(15)13-11/h1-2,5,14H,3-4,6H2,(H,13,15)
InChIKeyVNZCDYGKQLKZKC-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.02
Rot. Bonds

About 9-hydroxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one

9-hydroxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (PubChem CID 42605563) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 9-hydroxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.

Molecular Properties

Compound Name9-hydroxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
PubChem CID42605563
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name9-hydroxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESO=c1[nH]c2ccc(O)cc2c2c1CSCC2
InChIInChI=1S/C12H11NO2S/c14-7-1-2-11-9(5-7)8-3-4-16-6-10(8)12(15)13-11/h1-2,5,14H,3-4,6H2,(H,13,15)
InChIKeyVNZCDYGKQLKZKC-UHFFFAOYSA-N
XLogP2.02
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The IUPAC name of 9-hydroxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (CID 42605563) is 9-hydroxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.
What is the SMILES notation for 9-hydroxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The canonical SMILES for 9-hydroxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is O=c1[nH]c2ccc(O)cc2c2c1CSCC2.
What is the InChIKey of 9-hydroxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The InChIKey is VNZCDYGKQLKZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-7-1-2-11-9(5-7)8-3-4-16-6-10(8)12(15)13-11/h1-2,5,14H,3-4,6H2,(H,13,15).
What are the key properties of 9-hydroxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
9-hydroxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one has a molecular weight of 233.29 g/mol, XLogP of 2.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is sourced from PubChem (CID 42605563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).