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

C22H30N2O2S — CID 42605457

IUPAC9-(1-pentylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESCCCCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
InChIInChI=1S/C22H30N2O2S/c1-2-3-4-10-24-11-7-16(8-12-24)26-17-5-6-21-19(14-17)18-9-13-27-15-20(18)22(25)23-21/h5-6,14,16H,2-4,7-13,15H2,1H3,(H,23,25)
InChIKeyCUIDPGHBGSODLI-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.35
Rot. Bonds6

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

9-(1-pentylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (PubChem CID 42605457) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 9-(1-pentylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.

Molecular Properties

Compound Name9-(1-pentylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
PubChem CID42605457
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name9-(1-pentylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESCCCCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
InChIInChI=1S/C22H30N2O2S/c1-2-3-4-10-24-11-7-16(8-12-24)26-17-5-6-21-19(14-17)18-9-13-27-15-20(18)22(25)23-21/h5-6,14,16H,2-4,7-13,15H2,1H3,(H,23,25)
InChIKeyCUIDPGHBGSODLI-UHFFFAOYSA-N
XLogP4.35
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(1-pentylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The IUPAC name of 9-(1-pentylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (CID 42605457) is 9-(1-pentylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.
What is the SMILES notation for 9-(1-pentylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The canonical SMILES for 9-(1-pentylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is CCCCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1.
What is the InChIKey of 9-(1-pentylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The InChIKey is CUIDPGHBGSODLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-2-3-4-10-24-11-7-16(8-12-24)26-17-5-6-21-19(14-17)18-9-13-27-15-20(18)22(25)23-21/h5-6,14,16H,2-4,7-13,15H2,1H3,(H,23,25).
What are the key properties of 9-(1-pentylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
9-(1-pentylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one has a molecular weight of 386.56 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-pentylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is sourced from PubChem (CID 42605457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).