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

C17H20N2O2S — CID 42606948

IUPAC9-piperidin-3-yloxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESO=c1[nH]c2ccc(OC3CCCNC3)cc2c2c1CSCC2
InChIInChI=1S/C17H20N2O2S/c20-17-15-10-22-7-5-13(15)14-8-11(3-4-16(14)19-17)21-12-2-1-6-18-9-12/h3-4,8,12,18H,1-2,5-7,9-10H2,(H,19,20)
InChIKeyWLXRQZQAQHWPCW-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.45
Rot. Bonds2

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

9-piperidin-3-yloxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (PubChem CID 42606948) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 9-piperidin-3-yloxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.

Molecular Properties

Compound Name9-piperidin-3-yloxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
PubChem CID42606948
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name9-piperidin-3-yloxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESO=c1[nH]c2ccc(OC3CCCNC3)cc2c2c1CSCC2
InChIInChI=1S/C17H20N2O2S/c20-17-15-10-22-7-5-13(15)14-8-11(3-4-16(14)19-17)21-12-2-1-6-18-9-12/h3-4,8,12,18H,1-2,5-7,9-10H2,(H,19,20)
InChIKeyWLXRQZQAQHWPCW-UHFFFAOYSA-N
XLogP2.45
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-piperidin-3-yloxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The IUPAC name of 9-piperidin-3-yloxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (CID 42606948) is 9-piperidin-3-yloxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.
What is the SMILES notation for 9-piperidin-3-yloxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The canonical SMILES for 9-piperidin-3-yloxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is O=c1[nH]c2ccc(OC3CCCNC3)cc2c2c1CSCC2.
What is the InChIKey of 9-piperidin-3-yloxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The InChIKey is WLXRQZQAQHWPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-17-15-10-22-7-5-13(15)14-8-11(3-4-16(14)19-17)21-12-2-1-6-18-9-12/h3-4,8,12,18H,1-2,5-7,9-10H2,(H,19,20).
What are the key properties of 9-piperidin-3-yloxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
9-piperidin-3-yloxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one has a molecular weight of 316.43 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-piperidin-3-yloxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is sourced from PubChem (CID 42606948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).