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

C24H26N2O2S — CID 42607061

IUPAC9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESO=c1[nH]c2ccc(OC3CCN(Cc4ccccc4)CC3)cc2c2c1CSCC2
InChIInChI=1S/C24H26N2O2S/c27-24-22-16-29-13-10-20(22)21-14-19(6-7-23(21)25-24)28-18-8-11-26(12-9-18)15-17-4-2-1-3-5-17/h1-7,14,18H,8-13,15-16H2,(H,25,27)
InChIKeySEPPFUUHMIHNJR-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.36
Rot. Bonds4

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

9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (PubChem CID 42607061) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.

Molecular Properties

Compound Name9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
PubChem CID42607061
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESO=c1[nH]c2ccc(OC3CCN(Cc4ccccc4)CC3)cc2c2c1CSCC2
InChIInChI=1S/C24H26N2O2S/c27-24-22-16-29-13-10-20(22)21-14-19(6-7-23(21)25-24)28-18-8-11-26(12-9-18)15-17-4-2-1-3-5-17/h1-7,14,18H,8-13,15-16H2,(H,25,27)
InChIKeySEPPFUUHMIHNJR-UHFFFAOYSA-N
XLogP4.36
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

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-propylpiperidin-4-yloxy)-4,6-dihydro-1H-thiopyrano[3,4-c]quinolin-5(2H)-one
CID 42606720
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
9-(1-phenylpiperidin-4-yloxy)-4,6-dihydro-1H-thiopyrano[3,4-c]quinolin-5(2H)-one
CID 42607064

Frequently Asked Questions

What is the IUPAC name of 9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The IUPAC name of 9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (CID 42607061) is 9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.
What is the SMILES notation for 9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The canonical SMILES for 9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is O=c1[nH]c2ccc(OC3CCN(Cc4ccccc4)CC3)cc2c2c1CSCC2.
What is the InChIKey of 9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The InChIKey is SEPPFUUHMIHNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c27-24-22-16-29-13-10-20(22)21-14-19(6-7-23(21)25-24)28-18-8-11-26(12-9-18)15-17-4-2-1-3-5-17/h1-7,14,18H,8-13,15-16H2,(H,25,27).
What are the key properties of 9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one has a molecular weight of 406.55 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is sourced from PubChem (CID 42607061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).