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

C22H21FN2OS — CID 141424193

IUPAC9-[4-(diethylaminomethyl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol
SMILESCCN(CC)Cc1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1F
InChIInChI=1S/C22H21FN2OS/c1-3-25(4-2)13-15-6-5-14(11-17(15)23)21-19(26)8-7-18-22(21)16-9-10-27-20(16)12-24-18/h5-12,26H,3-4,13H2,1-2H3
InChIKeyHTRIIAIMPLNUNV-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.80
Rot. Bonds5

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

9-[4-(diethylaminomethyl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol (PubChem CID 141424193) has the molecular formula C22H21FN2OS and a molecular weight of 380.49 g/mol. Its IUPAC name is 9-[4-(diethylaminomethyl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol.

Molecular Properties

Compound Name9-[4-(diethylaminomethyl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol
PubChem CID141424193
Molecular FormulaC22H21FN2OS
Molecular Weight380.49 g/mol
Exact Mass380.14
IUPAC Name9-[4-(diethylaminomethyl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol
SMILESCCN(CC)Cc1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1F
InChIInChI=1S/C22H21FN2OS/c1-3-25(4-2)13-15-6-5-14(11-17(15)23)21-19(26)8-7-18-22(21)16-9-10-27-20(16)12-24-18/h5-12,26H,3-4,13H2,1-2H3
InChIKeyHTRIIAIMPLNUNV-UHFFFAOYSA-N
XLogP5.80
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(diethylaminomethyl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol?
The IUPAC name of 9-[4-(diethylaminomethyl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol (CID 141424193) is 9-[4-(diethylaminomethyl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol.
What is the SMILES notation for 9-[4-(diethylaminomethyl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol?
The canonical SMILES for 9-[4-(diethylaminomethyl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol is CCN(CC)Cc1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1F.
What is the InChIKey of 9-[4-(diethylaminomethyl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol?
The InChIKey is HTRIIAIMPLNUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2OS/c1-3-25(4-2)13-15-6-5-14(11-17(15)23)21-19(26)8-7-18-22(21)16-9-10-27-20(16)12-24-18/h5-12,26H,3-4,13H2,1-2H3.
What are the key properties of 9-[4-(diethylaminomethyl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol?
9-[4-(diethylaminomethyl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol has a molecular weight of 380.49 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(diethylaminomethyl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol is sourced from PubChem (CID 141424193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).