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

C19H24N2O2S — CID 42606825

IUPAC9-(1-ethylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
InChIInChI=1S/C19H24N2O2S/c1-2-21-8-5-13(6-9-21)23-14-3-4-18-16(11-14)15-7-10-24-12-17(15)19(22)20-18/h3-4,11,13H,2,5-10,12H2,1H3,(H,20,22)
InChIKeyCTWMPQFAKVNJDN-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.18
Rot. Bonds3

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

9-(1-ethylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (PubChem CID 42606825) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 9-(1-ethylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.

Molecular Properties

Compound Name9-(1-ethylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
PubChem CID42606825
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name9-(1-ethylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
InChIInChI=1S/C19H24N2O2S/c1-2-21-8-5-13(6-9-21)23-14-3-4-18-16(11-14)15-7-10-24-12-17(15)19(22)20-18/h3-4,11,13H,2,5-10,12H2,1H3,(H,20,22)
InChIKeyCTWMPQFAKVNJDN-UHFFFAOYSA-N
XLogP3.18
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(1-ethylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The IUPAC name of 9-(1-ethylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (CID 42606825) is 9-(1-ethylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.
What is the SMILES notation for 9-(1-ethylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The canonical SMILES for 9-(1-ethylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is CCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1.
What is the InChIKey of 9-(1-ethylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The InChIKey is CTWMPQFAKVNJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-2-21-8-5-13(6-9-21)23-14-3-4-18-16(11-14)15-7-10-24-12-17(15)19(22)20-18/h3-4,11,13H,2,5-10,12H2,1H3,(H,20,22).
What are the key properties of 9-(1-ethylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
9-(1-ethylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one has a molecular weight of 344.48 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-ethylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is sourced from PubChem (CID 42606825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).