8-hydroxy-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-thieno[2,3-c]quinolin-4-one

C16H14N2O2S — CID 53472762

IUPAC8-hydroxy-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccc(O)c(C3=CCNCC3)c2c2ccsc12
InChIInChI=1S/C16H14N2O2S/c19-12-2-1-11-14(13(12)9-3-6-17-7-4-9)10-5-8-21-15(10)16(20)18-11/h1-3,5,8,17,19H,4,6-7H2,(H,18,20)
InChIKeyJYIYWWJXISZCBJ-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.83
Rot. Bonds1

About 8-hydroxy-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-thieno[2,3-c]quinolin-4-one

8-hydroxy-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 53472762) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 8-hydroxy-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-hydroxy-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-thieno[2,3-c]quinolin-4-one
PubChem CID53472762
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name8-hydroxy-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccc(O)c(C3=CCNCC3)c2c2ccsc12
InChIInChI=1S/C16H14N2O2S/c19-12-2-1-11-14(13(12)9-3-6-17-7-4-9)10-5-8-21-15(10)16(20)18-11/h1-3,5,8,17,19H,4,6-7H2,(H,18,20)
InChIKeyJYIYWWJXISZCBJ-UHFFFAOYSA-N
XLogP2.83
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 8-hydroxy-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-thieno[2,3-c]quinolin-4-one (CID 53472762) is 8-hydroxy-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 8-hydroxy-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 8-hydroxy-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-thieno[2,3-c]quinolin-4-one is O=c1[nH]c2ccc(O)c(C3=CCNCC3)c2c2ccsc12.
What is the InChIKey of 8-hydroxy-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is JYIYWWJXISZCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-12-2-1-11-14(13(12)9-3-6-17-7-4-9)10-5-8-21-15(10)16(20)18-11/h1-3,5,8,17,19H,4,6-7H2,(H,18,20).
What are the key properties of 8-hydroxy-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-thieno[2,3-c]quinolin-4-one?
8-hydroxy-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 298.37 g/mol, XLogP of 2.83, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 53472762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).