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

C20H26N2O2S — CID 42606954

IUPAC9-(1-propylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESCCCN1CCCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1
InChIInChI=1S/C20H26N2O2S/c1-2-8-22-9-3-4-15(12-22)24-14-5-6-19-17(11-14)16-7-10-25-13-18(16)20(23)21-19/h5-6,11,15H,2-4,7-10,12-13H2,1H3,(H,21,23)
InChIKeyAVVYPTYKGGWLGP-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.57
Rot. Bonds4

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

9-(1-propylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (PubChem CID 42606954) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 9-(1-propylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.

Molecular Properties

Compound Name9-(1-propylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
PubChem CID42606954
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name9-(1-propylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESCCCN1CCCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1
InChIInChI=1S/C20H26N2O2S/c1-2-8-22-9-3-4-15(12-22)24-14-5-6-19-17(11-14)16-7-10-25-13-18(16)20(23)21-19/h5-6,11,15H,2-4,7-10,12-13H2,1H3,(H,21,23)
InChIKeyAVVYPTYKGGWLGP-UHFFFAOYSA-N
XLogP3.57
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(1-propylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The IUPAC name of 9-(1-propylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (CID 42606954) is 9-(1-propylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.
What is the SMILES notation for 9-(1-propylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The canonical SMILES for 9-(1-propylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is CCCN1CCCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1.
What is the InChIKey of 9-(1-propylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The InChIKey is AVVYPTYKGGWLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-2-8-22-9-3-4-15(12-22)24-14-5-6-19-17(11-14)16-7-10-25-13-18(16)20(23)21-19/h5-6,11,15H,2-4,7-10,12-13H2,1H3,(H,21,23).
What are the key properties of 9-(1-propylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
9-(1-propylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one has a molecular weight of 358.51 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-propylpiperidin-3-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is sourced from PubChem (CID 42606954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).