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

C22H22N2O2S — CID 67446628

IUPAC9-[4-[1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCC(CN(C)C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C22H22N2O2S/c1-13(12-24(2)3)14-4-6-15(7-5-14)19-18(25)9-8-17-20(19)16-10-11-27-21(16)22(26)23-17/h4-11,13,25H,12H2,1-3H3,(H,23,26)
InChIKeyWGYWHJPQFQGLOQ-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.78
Rot. Bonds4

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

9-[4-[1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67446628) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 9-[4-[1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-[1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67446628
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name9-[4-[1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCC(CN(C)C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C22H22N2O2S/c1-13(12-24(2)3)14-4-6-15(7-5-14)19-18(25)9-8-17-20(19)16-10-11-27-21(16)22(26)23-17/h4-11,13,25H,12H2,1-3H3,(H,23,26)
InChIKeyWGYWHJPQFQGLOQ-UHFFFAOYSA-N
XLogP4.78
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-[1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (CID 67446628) is 9-[4-[1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-[1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-[1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is CC(CN(C)C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1.
What is the InChIKey of 9-[4-[1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is WGYWHJPQFQGLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-13(12-24(2)3)14-4-6-15(7-5-14)19-18(25)9-8-17-20(19)16-10-11-27-21(16)22(26)23-17/h4-11,13,25H,12H2,1-3H3,(H,23,26).
What are the key properties of 9-[4-[1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
9-[4-[1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 378.50 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67446628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).