9-[4-[1-(dimethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol

C21H19FN2OS — CID 141424285

IUPAC9-[4-[1-(dimethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol
SMILESCC(c1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1F)N(C)C
InChIInChI=1S/C21H19FN2OS/c1-12(24(2)3)14-5-4-13(10-16(14)22)20-18(25)7-6-17-21(20)15-8-9-26-19(15)11-23-17/h4-12,25H,1-3H3
InChIKeyYTEODKNUURRLSX-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.58
Rot. Bonds3

About 9-[4-[1-(dimethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol

9-[4-[1-(dimethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol (PubChem CID 141424285) has the molecular formula C21H19FN2OS and a molecular weight of 366.46 g/mol. Its IUPAC name is 9-[4-[1-(dimethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol.

Molecular Properties

Compound Name9-[4-[1-(dimethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol
PubChem CID141424285
Molecular FormulaC21H19FN2OS
Molecular Weight366.46 g/mol
Exact Mass366.12
IUPAC Name9-[4-[1-(dimethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol
SMILESCC(c1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1F)N(C)C
InChIInChI=1S/C21H19FN2OS/c1-12(24(2)3)14-5-4-13(10-16(14)22)20-18(25)7-6-17-21(20)15-8-9-26-19(15)11-23-17/h4-12,25H,1-3H3
InChIKeyYTEODKNUURRLSX-UHFFFAOYSA-N
XLogP5.58
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[1-(dimethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol?
The IUPAC name of 9-[4-[1-(dimethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol (CID 141424285) is 9-[4-[1-(dimethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol.
What is the SMILES notation for 9-[4-[1-(dimethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol?
The canonical SMILES for 9-[4-[1-(dimethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol is CC(c1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1F)N(C)C.
What is the InChIKey of 9-[4-[1-(dimethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol?
The InChIKey is YTEODKNUURRLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2OS/c1-12(24(2)3)14-5-4-13(10-16(14)22)20-18(25)7-6-17-21(20)15-8-9-26-19(15)11-23-17/h4-12,25H,1-3H3.
What are the key properties of 9-[4-[1-(dimethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol?
9-[4-[1-(dimethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol has a molecular weight of 366.46 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1-(dimethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol is sourced from PubChem (CID 141424285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).