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

C23H24N2O2S — CID 42607064

IUPAC9-(1-phenylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESO=c1[nH]c2ccc(OC3CCN(c4ccccc4)CC3)cc2c2c1CSCC2
InChIInChI=1S/C23H24N2O2S/c26-23-21-15-28-13-10-19(21)20-14-18(6-7-22(20)24-23)27-17-8-11-25(12-9-17)16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,24,26)
InChIKeyFSHJFMGSDNUDQO-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.37
Rot. Bonds3

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

9-(1-phenylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (PubChem CID 42607064) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 9-(1-phenylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.

Molecular Properties

Compound Name9-(1-phenylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
PubChem CID42607064
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name9-(1-phenylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESO=c1[nH]c2ccc(OC3CCN(c4ccccc4)CC3)cc2c2c1CSCC2
InChIInChI=1S/C23H24N2O2S/c26-23-21-15-28-13-10-19(21)20-14-18(6-7-22(20)24-23)27-17-8-11-25(12-9-17)16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,24,26)
InChIKeyFSHJFMGSDNUDQO-UHFFFAOYSA-N
XLogP4.37
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(1-phenylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The IUPAC name of 9-(1-phenylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (CID 42607064) is 9-(1-phenylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.
What is the SMILES notation for 9-(1-phenylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The canonical SMILES for 9-(1-phenylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is O=c1[nH]c2ccc(OC3CCN(c4ccccc4)CC3)cc2c2c1CSCC2.
What is the InChIKey of 9-(1-phenylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The InChIKey is FSHJFMGSDNUDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c26-23-21-15-28-13-10-19(21)20-14-18(6-7-22(20)24-23)27-17-8-11-25(12-9-17)16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,24,26).
What are the key properties of 9-(1-phenylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
9-(1-phenylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one has a molecular weight of 392.52 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-phenylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is sourced from PubChem (CID 42607064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).