8-hydroxy-9-[4-(3-piperidin-1-ylpropyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one

C25H26N2O2S — CID 158236634

IUPAC8-hydroxy-9-[4-(3-piperidin-1-ylpropyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccc(O)c(-c3ccc(CCCN4CCCCC4)cc3)c2c2ccsc12
InChIInChI=1S/C25H26N2O2S/c28-21-11-10-20-23(19-12-16-30-24(19)25(29)26-20)22(21)18-8-6-17(7-9-18)5-4-15-27-13-2-1-3-14-27/h6-12,16,28H,1-5,13-15H2,(H,26,29)
InChIKeyGFASMNXAIYRAOH-UHFFFAOYSA-N
MW418.56 g/mol
LogP5.53
Rot. Bonds5

About 8-hydroxy-9-[4-(3-piperidin-1-ylpropyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one

8-hydroxy-9-[4-(3-piperidin-1-ylpropyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 158236634) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is 8-hydroxy-9-[4-(3-piperidin-1-ylpropyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-hydroxy-9-[4-(3-piperidin-1-ylpropyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one
PubChem CID158236634
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC Name8-hydroxy-9-[4-(3-piperidin-1-ylpropyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccc(O)c(-c3ccc(CCCN4CCCCC4)cc3)c2c2ccsc12
InChIInChI=1S/C25H26N2O2S/c28-21-11-10-20-23(19-12-16-30-24(19)25(29)26-20)22(21)18-8-6-17(7-9-18)5-4-15-27-13-2-1-3-14-27/h6-12,16,28H,1-5,13-15H2,(H,26,29)
InChIKeyGFASMNXAIYRAOH-UHFFFAOYSA-N
XLogP5.53
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-9-[4-(3-piperidin-1-ylpropyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 8-hydroxy-9-[4-(3-piperidin-1-ylpropyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one (CID 158236634) is 8-hydroxy-9-[4-(3-piperidin-1-ylpropyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 8-hydroxy-9-[4-(3-piperidin-1-ylpropyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 8-hydroxy-9-[4-(3-piperidin-1-ylpropyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one is O=c1[nH]c2ccc(O)c(-c3ccc(CCCN4CCCCC4)cc3)c2c2ccsc12.
What is the InChIKey of 8-hydroxy-9-[4-(3-piperidin-1-ylpropyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is GFASMNXAIYRAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S/c28-21-11-10-20-23(19-12-16-30-24(19)25(29)26-20)22(21)18-8-6-17(7-9-18)5-4-15-27-13-2-1-3-14-27/h6-12,16,28H,1-5,13-15H2,(H,26,29).
What are the key properties of 8-hydroxy-9-[4-(3-piperidin-1-ylpropyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
8-hydroxy-9-[4-(3-piperidin-1-ylpropyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 418.56 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-9-[4-(3-piperidin-1-ylpropyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 158236634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).