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

C22H22N2O2S — CID 67450195

IUPAC9-[4-(diethylaminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCCN(CC)Cc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C22H22N2O2S/c1-3-24(4-2)13-14-5-7-15(8-6-14)19-18(25)10-9-17-20(19)16-11-12-27-21(16)22(26)23-17/h5-12,25H,3-4,13H2,1-2H3,(H,23,26)
InChIKeyXIQBLIXWNGDLID-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.96
Rot. Bonds5

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

9-[4-(diethylaminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67450195) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 9-[4-(diethylaminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-(diethylaminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67450195
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name9-[4-(diethylaminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCCN(CC)Cc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C22H22N2O2S/c1-3-24(4-2)13-14-5-7-15(8-6-14)19-18(25)10-9-17-20(19)16-11-12-27-21(16)22(26)23-17/h5-12,25H,3-4,13H2,1-2H3,(H,23,26)
InChIKeyXIQBLIXWNGDLID-UHFFFAOYSA-N
XLogP4.96
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-[4-(diethylaminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[4-(diethylaminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-(diethylaminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (CID 67450195) is 9-[4-(diethylaminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-(diethylaminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-(diethylaminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is CCN(CC)Cc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1.
What is the InChIKey of 9-[4-(diethylaminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is XIQBLIXWNGDLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-3-24(4-2)13-14-5-7-15(8-6-14)19-18(25)10-9-17-20(19)16-11-12-27-21(16)22(26)23-17/h5-12,25H,3-4,13H2,1-2H3,(H,23,26).
What are the key properties of 9-[4-(diethylaminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
9-[4-(diethylaminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 378.50 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(diethylaminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67450195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).