9-(1-methylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one

C18H22N2O2S — CID 42606950

IUPAC9-(1-methylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESCN1CCCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1
InChIInChI=1S/C18H22N2O2S/c1-20-7-2-3-13(10-20)22-12-4-5-17-15(9-12)14-6-8-23-11-16(14)18(21)19-17/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,19,21)
InChIKeyQWPQGUCUHFBKJY-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.79
Rot. Bonds2

About 9-(1-methylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one

9-(1-methylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (PubChem CID 42606950) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 9-(1-methylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.

Molecular Properties

Compound Name9-(1-methylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
PubChem CID42606950
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name9-(1-methylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESCN1CCCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1
InChIInChI=1S/C18H22N2O2S/c1-20-7-2-3-13(10-20)22-12-4-5-17-15(9-12)14-6-8-23-11-16(14)18(21)19-17/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,19,21)
InChIKeyQWPQGUCUHFBKJY-UHFFFAOYSA-N
XLogP2.79
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(1-methylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The IUPAC name of 9-(1-methylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (CID 42606950) is 9-(1-methylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.
What is the SMILES notation for 9-(1-methylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The canonical SMILES for 9-(1-methylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is CN1CCCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1.
What is the InChIKey of 9-(1-methylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The InChIKey is QWPQGUCUHFBKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-20-7-2-3-13(10-20)22-12-4-5-17-15(9-12)14-6-8-23-11-16(14)18(21)19-17/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,19,21).
What are the key properties of 9-(1-methylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
9-(1-methylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one has a molecular weight of 330.45 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is sourced from PubChem (CID 42606950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).