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

C20H18N2O2S — CID 67449038

IUPAC9-[4-[(dimethylamino)methyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCN(C)Cc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C20H18N2O2S/c1-22(2)11-12-3-5-13(6-4-12)17-16(23)8-7-15-18(17)14-9-10-25-19(14)20(24)21-15/h3-10,23H,11H2,1-2H3,(H,21,24)
InChIKeyJYQDSHIEJSGQNK-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.18
Rot. Bonds3

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

9-[4-[(dimethylamino)methyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67449038) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 9-[4-[(dimethylamino)methyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-[(dimethylamino)methyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67449038
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name9-[4-[(dimethylamino)methyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCN(C)Cc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C20H18N2O2S/c1-22(2)11-12-3-5-13(6-4-12)17-16(23)8-7-15-18(17)14-9-10-25-19(14)20(24)21-15/h3-10,23H,11H2,1-2H3,(H,21,24)
InChIKeyJYQDSHIEJSGQNK-UHFFFAOYSA-N
XLogP4.18
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[(dimethylamino)methyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-[(dimethylamino)methyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (CID 67449038) is 9-[4-[(dimethylamino)methyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-[(dimethylamino)methyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-[(dimethylamino)methyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is CN(C)Cc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1.
What is the InChIKey of 9-[4-[(dimethylamino)methyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is JYQDSHIEJSGQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-22(2)11-12-3-5-13(6-4-12)17-16(23)8-7-15-18(17)14-9-10-25-19(14)20(24)21-15/h3-10,23H,11H2,1-2H3,(H,21,24).
What are the key properties of 9-[4-[(dimethylamino)methyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
9-[4-[(dimethylamino)methyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 350.44 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(dimethylamino)methyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67449038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).