2-[4-[(5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-9-yl)oxy]piperidin-1-yl]acetic acid

C19H22N2O4S — CID 68912151

IUPAC2-[4-[(5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-9-yl)oxy]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
InChIInChI=1S/C19H22N2O4S/c22-18(23)10-21-6-3-12(4-7-21)25-13-1-2-17-15(9-13)14-5-8-26-11-16(14)19(24)20-17/h1-2,9,12H,3-8,10-11H2,(H,20,24)(H,22,23)
InChIKeyFLPWGVLRGUEUOJ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.25
Rot. Bonds4

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

2-[4-[(5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-9-yl)oxy]piperidin-1-yl]acetic acid (PubChem CID 68912151) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[4-[(5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-9-yl)oxy]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-9-yl)oxy]piperidin-1-yl]acetic acid
PubChem CID68912151
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-[4-[(5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-9-yl)oxy]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
InChIInChI=1S/C19H22N2O4S/c22-18(23)10-21-6-3-12(4-7-21)25-13-1-2-17-15(9-13)14-5-8-26-11-16(14)19(24)20-17/h1-2,9,12H,3-8,10-11H2,(H,20,24)(H,22,23)
InChIKeyFLPWGVLRGUEUOJ-UHFFFAOYSA-N
XLogP2.25
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-9-yl)oxy]piperidin-1-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-9-yl)oxy]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-9-yl)oxy]piperidin-1-yl]acetic acid (CID 68912151) is 2-[4-[(5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-9-yl)oxy]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-9-yl)oxy]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-9-yl)oxy]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1.
What is the InChIKey of 2-[4-[(5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-9-yl)oxy]piperidin-1-yl]acetic acid?
The InChIKey is FLPWGVLRGUEUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-18(23)10-21-6-3-12(4-7-21)25-13-1-2-17-15(9-13)14-5-8-26-11-16(14)19(24)20-17/h1-2,9,12H,3-8,10-11H2,(H,20,24)(H,22,23).
What are the key properties of 2-[4-[(5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-9-yl)oxy]piperidin-1-yl]acetic acid?
2-[4-[(5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-9-yl)oxy]piperidin-1-yl]acetic acid has a molecular weight of 374.46 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-9-yl)oxy]piperidin-1-yl]acetic acid is sourced from PubChem (CID 68912151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).