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

C22H22N2O2S — CID 67447588

IUPAC9-[4-[1-(dimethylamino)propyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCCC(c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N(C)C
InChIInChI=1S/C22H22N2O2S/c1-4-17(24(2)3)13-5-7-14(8-6-13)19-18(25)10-9-16-20(19)15-11-12-27-21(15)22(26)23-16/h5-12,17,25H,4H2,1-3H3,(H,23,26)
InChIKeyCTDLFCHHZHWGKD-UHFFFAOYSA-N
MW378.50 g/mol
LogP5.13
Rot. Bonds4

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

9-[4-[1-(dimethylamino)propyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67447588) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 9-[4-[1-(dimethylamino)propyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-[1-(dimethylamino)propyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67447588
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name9-[4-[1-(dimethylamino)propyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCCC(c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N(C)C
InChIInChI=1S/C22H22N2O2S/c1-4-17(24(2)3)13-5-7-14(8-6-13)19-18(25)10-9-16-20(19)15-11-12-27-21(15)22(26)23-16/h5-12,17,25H,4H2,1-3H3,(H,23,26)
InChIKeyCTDLFCHHZHWGKD-UHFFFAOYSA-N
XLogP5.13
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-[4-[1-(dimethylamino)propyl]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-[1-(dimethylamino)propyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-[1-(dimethylamino)propyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (CID 67447588) is 9-[4-[1-(dimethylamino)propyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-[1-(dimethylamino)propyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-[1-(dimethylamino)propyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is CCC(c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N(C)C.
What is the InChIKey of 9-[4-[1-(dimethylamino)propyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is CTDLFCHHZHWGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-4-17(24(2)3)13-5-7-14(8-6-13)19-18(25)10-9-16-20(19)15-11-12-27-21(15)22(26)23-16/h5-12,17,25H,4H2,1-3H3,(H,23,26).
What are the key properties of 9-[4-[1-(dimethylamino)propyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
9-[4-[1-(dimethylamino)propyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 378.50 g/mol, XLogP of 5.13, 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)propyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67447588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).