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

C23H23FN2OS — CID 141424299

IUPAC9-[4-[1-(diethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol
SMILESCCN(CC)C(C)c1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1F
InChIInChI=1S/C23H23FN2OS/c1-4-26(5-2)14(3)16-7-6-15(12-18(16)24)22-20(27)9-8-19-23(22)17-10-11-28-21(17)13-25-19/h6-14,27H,4-5H2,1-3H3
InChIKeyOMMPVKBSJYAWPF-UHFFFAOYSA-N
MW394.52 g/mol
LogP6.36
Rot. Bonds5

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

9-[4-[1-(diethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol (PubChem CID 141424299) has the molecular formula C23H23FN2OS and a molecular weight of 394.52 g/mol. Its IUPAC name is 9-[4-[1-(diethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol.

Molecular Properties

Compound Name9-[4-[1-(diethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol
PubChem CID141424299
Molecular FormulaC23H23FN2OS
Molecular Weight394.52 g/mol
Exact Mass394.15
IUPAC Name9-[4-[1-(diethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol
SMILESCCN(CC)C(C)c1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1F
InChIInChI=1S/C23H23FN2OS/c1-4-26(5-2)14(3)16-7-6-15(12-18(16)24)22-20(27)9-8-19-23(22)17-10-11-28-21(17)13-25-19/h6-14,27H,4-5H2,1-3H3
InChIKeyOMMPVKBSJYAWPF-UHFFFAOYSA-N
XLogP6.36
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-[4-[1-(diethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol 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-(diethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol?
The IUPAC name of 9-[4-[1-(diethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol (CID 141424299) is 9-[4-[1-(diethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol.
What is the SMILES notation for 9-[4-[1-(diethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol?
The canonical SMILES for 9-[4-[1-(diethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol is CCN(CC)C(C)c1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1F.
What is the InChIKey of 9-[4-[1-(diethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol?
The InChIKey is OMMPVKBSJYAWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2OS/c1-4-26(5-2)14(3)16-7-6-15(12-18(16)24)22-20(27)9-8-19-23(22)17-10-11-28-21(17)13-25-19/h6-14,27H,4-5H2,1-3H3.
What are the key properties of 9-[4-[1-(diethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol?
9-[4-[1-(diethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol has a molecular weight of 394.52 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1-(diethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol is sourced from PubChem (CID 141424299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).