9-(piperidine-1-carbonyl)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one

C18H20N2O2S — CID 42606131

IUPAC9-(piperidine-1-carbonyl)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESO=C(c1ccc2[nH]c(=O)c3c(c2c1)CCSC3)N1CCCCC1
InChIInChI=1S/C18H20N2O2S/c21-17-15-11-23-9-6-13(15)14-10-12(4-5-16(14)19-17)18(22)20-7-2-1-3-8-20/h4-5,10H,1-3,6-9,11H2,(H,19,21)
InChIKeyCADSCJFLKDKUMP-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.94
Rot. Bonds1

About 9-(piperidine-1-carbonyl)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one

9-(piperidine-1-carbonyl)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (PubChem CID 42606131) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 9-(piperidine-1-carbonyl)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.

Molecular Properties

Compound Name9-(piperidine-1-carbonyl)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
PubChem CID42606131
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name9-(piperidine-1-carbonyl)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESO=C(c1ccc2[nH]c(=O)c3c(c2c1)CCSC3)N1CCCCC1
InChIInChI=1S/C18H20N2O2S/c21-17-15-11-23-9-6-13(15)14-10-12(4-5-16(14)19-17)18(22)20-7-2-1-3-8-20/h4-5,10H,1-3,6-9,11H2,(H,19,21)
InChIKeyCADSCJFLKDKUMP-UHFFFAOYSA-N
XLogP2.94
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(piperidine-1-carbonyl)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The IUPAC name of 9-(piperidine-1-carbonyl)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (CID 42606131) is 9-(piperidine-1-carbonyl)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.
What is the SMILES notation for 9-(piperidine-1-carbonyl)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The canonical SMILES for 9-(piperidine-1-carbonyl)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is O=C(c1ccc2[nH]c(=O)c3c(c2c1)CCSC3)N1CCCCC1.
What is the InChIKey of 9-(piperidine-1-carbonyl)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The InChIKey is CADSCJFLKDKUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-17-15-11-23-9-6-13(15)14-10-12(4-5-16(14)19-17)18(22)20-7-2-1-3-8-20/h4-5,10H,1-3,6-9,11H2,(H,19,21).
What are the key properties of 9-(piperidine-1-carbonyl)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
9-(piperidine-1-carbonyl)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one has a molecular weight of 328.44 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(piperidine-1-carbonyl)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is sourced from PubChem (CID 42606131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).