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

C20H26N2O2S — CID 42606720

IUPAC9-(1-propylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESCCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
InChIInChI=1S/C20H26N2O2S/c1-2-8-22-9-5-14(6-10-22)24-15-3-4-19-17(12-15)16-7-11-25-13-18(16)20(23)21-19/h3-4,12,14H,2,5-11,13H2,1H3,(H,21,23)
InChIKeyQUOVXGIAQFDLMF-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.57
Rot. Bonds4

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

9-(1-propylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (PubChem CID 42606720) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 9-(1-propylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.

Molecular Properties

Compound Name9-(1-propylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
PubChem CID42606720
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name9-(1-propylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESCCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
InChIInChI=1S/C20H26N2O2S/c1-2-8-22-9-5-14(6-10-22)24-15-3-4-19-17(12-15)16-7-11-25-13-18(16)20(23)21-19/h3-4,12,14H,2,5-11,13H2,1H3,(H,21,23)
InChIKeyQUOVXGIAQFDLMF-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

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

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Related Compounds

Cilostamide
CID 2753
6-(3-(Piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 9974962
9-(1-pentylpiperidin-4-yloxy)-4,6-dihydro-1H-thiopyrano[3,4-c]quinolin-5(2H)-one
CID 42605457
9-(1-isopentylpiperidin-4-yloxy)-4,6-dihydro-1H-thiopyrano[3,4-c]quinolin-5(2H)-one
CID 42606718
9-(1-(2-methoxyethyl)piperidin-4-yloxy)-4,6-dihydro-1H-thiopyrano[3,4-c]quinolin-5(2H)-one
CID 42606833
9-(1-(2-(piperidin-1-yl)ethyl)piperidin-4-yloxy)-4,6-dihydro-1H-thiopyrano[3,4-c]quinolin-5(2H)-one
CID 42606835
9-(piperidin-3-yloxy)-4,6-dihydro-1H-thiopyrano[3,4-c]quinolin-5(2H)-one
CID 42606948
9-(1-methylpiperidin-3-yloxy)-4,6-dihydro-1H-thiopyrano[3,4-c]quinolin-5(2H)-one
CID 42606950
9-(1-methylpyrrolidin-3-yloxy)-4,6-dihydro-1H-thiopyrano[3,4-c]quinolin-5(2H)-one
CID 42606952
9-(1-propylpiperidin-3-yloxy)-4,6-dihydro-1H-thiopyrano[3,4-c]quinolin-5(2H)-one
CID 42606954
9-(1-ethylpiperidin-3-yloxy)-4,6-dihydro-1H-thiopyrano[3,4-c]quinolin-5(2H)-one
CID 42607057
9-(1-ethylpyrrolidin-3-yloxy)-4,6-dihydro-1H-thiopyrano[3,4-c]quinolin-5(2H)-one
CID 42607059

Frequently Asked Questions

What is the IUPAC name of 9-(1-propylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The IUPAC name of 9-(1-propylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (CID 42606720) is 9-(1-propylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.
What is the SMILES notation for 9-(1-propylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The canonical SMILES for 9-(1-propylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is CCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1.
What is the InChIKey of 9-(1-propylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The InChIKey is QUOVXGIAQFDLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-2-8-22-9-5-14(6-10-22)24-15-3-4-19-17(12-15)16-7-11-25-13-18(16)20(23)21-19/h3-4,12,14H,2,5-11,13H2,1H3,(H,21,23).
What are the key properties of 9-(1-propylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
9-(1-propylpiperidin-4-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-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is sourced from PubChem (CID 42606720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).