9-[4-[2-(dimethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one

C21H20N2O2S — CID 53472806

IUPAC9-[4-[2-(dimethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCN(C)CCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C21H20N2O2S/c1-23(2)11-9-13-3-5-14(6-4-13)18-17(24)8-7-16-19(18)15-10-12-26-20(15)21(25)22-16/h3-8,10,12,24H,9,11H2,1-2H3,(H,22,25)
InChIKeyNBBMWGADQAERGA-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.22
Rot. Bonds4

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

9-[4-[2-(dimethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 53472806) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 9-[4-[2-(dimethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-[2-(dimethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID53472806
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name9-[4-[2-(dimethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCN(C)CCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C21H20N2O2S/c1-23(2)11-9-13-3-5-14(6-4-13)18-17(24)8-7-16-19(18)15-10-12-26-20(15)21(25)22-16/h3-8,10,12,24H,9,11H2,1-2H3,(H,22,25)
InChIKeyNBBMWGADQAERGA-UHFFFAOYSA-N
XLogP4.22
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(dimethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-[2-(dimethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (CID 53472806) is 9-[4-[2-(dimethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-[2-(dimethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-[2-(dimethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is CN(C)CCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1.
What is the InChIKey of 9-[4-[2-(dimethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is NBBMWGADQAERGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-23(2)11-9-13-3-5-14(6-4-13)18-17(24)8-7-16-19(18)15-10-12-26-20(15)21(25)22-16/h3-8,10,12,24H,9,11H2,1-2H3,(H,22,25).
What are the key properties of 9-[4-[2-(dimethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
9-[4-[2-(dimethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 364.47 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(dimethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 53472806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).