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

C20H26N2O3S — CID 42606833

IUPAC9-[1-(2-methoxyethyl)piperidin-4-yl]oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESCOCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
InChIInChI=1S/C20H26N2O3S/c1-24-10-9-22-7-4-14(5-8-22)25-15-2-3-19-17(12-15)16-6-11-26-13-18(16)20(23)21-19/h2-3,12,14H,4-11,13H2,1H3,(H,21,23)
InChIKeyXVVPYEHDUIZLSH-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.81
Rot. Bonds5

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

9-[1-(2-methoxyethyl)piperidin-4-yl]oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (PubChem CID 42606833) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 9-[1-(2-methoxyethyl)piperidin-4-yl]oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.

Molecular Properties

Compound Name9-[1-(2-methoxyethyl)piperidin-4-yl]oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
PubChem CID42606833
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name9-[1-(2-methoxyethyl)piperidin-4-yl]oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESCOCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
InChIInChI=1S/C20H26N2O3S/c1-24-10-9-22-7-4-14(5-8-22)25-15-2-3-19-17(12-15)16-6-11-26-13-18(16)20(23)21-19/h2-3,12,14H,4-11,13H2,1H3,(H,21,23)
InChIKeyXVVPYEHDUIZLSH-UHFFFAOYSA-N
XLogP2.81
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[1-(2-methoxyethyl)piperidin-4-yl]oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The IUPAC name of 9-[1-(2-methoxyethyl)piperidin-4-yl]oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (CID 42606833) is 9-[1-(2-methoxyethyl)piperidin-4-yl]oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.
What is the SMILES notation for 9-[1-(2-methoxyethyl)piperidin-4-yl]oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The canonical SMILES for 9-[1-(2-methoxyethyl)piperidin-4-yl]oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is COCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1.
What is the InChIKey of 9-[1-(2-methoxyethyl)piperidin-4-yl]oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The InChIKey is XVVPYEHDUIZLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-24-10-9-22-7-4-14(5-8-22)25-15-2-3-19-17(12-15)16-6-11-26-13-18(16)20(23)21-19/h2-3,12,14H,4-11,13H2,1H3,(H,21,23).
What are the key properties of 9-[1-(2-methoxyethyl)piperidin-4-yl]oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
9-[1-(2-methoxyethyl)piperidin-4-yl]oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one has a molecular weight of 374.51 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(2-methoxyethyl)piperidin-4-yl]oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is sourced from PubChem (CID 42606833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).