3-(4-ethylphenyl)-8-fluorothieno[3,2-c]quinoline-2-carboxylic acid

C20H14FNO2S — CID 22425161

IUPAC3-(4-ethylphenyl)-8-fluorothieno[3,2-c]quinoline-2-carboxylic acid
SMILESCCc1ccc(-c2c(C(=O)O)sc3c2cnc2ccc(F)cc23)cc1
InChIInChI=1S/C20H14FNO2S/c1-2-11-3-5-12(6-4-11)17-15-10-22-16-8-7-13(21)9-14(16)18(15)25-19(17)20(23)24/h3-10H,2H2,1H3,(H,23,24)
InChIKeyFCPLKMHSQDGMPM-UHFFFAOYSA-N
MW351.40 g/mol
LogP5.52
Rot. Bonds3

About 3-(4-ethylphenyl)-8-fluorothieno[3,2-c]quinoline-2-carboxylic acid

3-(4-ethylphenyl)-8-fluorothieno[3,2-c]quinoline-2-carboxylic acid (PubChem CID 22425161) has the molecular formula C20H14FNO2S and a molecular weight of 351.40 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-8-fluorothieno[3,2-c]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-ethylphenyl)-8-fluorothieno[3,2-c]quinoline-2-carboxylic acid
PubChem CID22425161
Molecular FormulaC20H14FNO2S
Molecular Weight351.40 g/mol
Exact Mass351.07
IUPAC Name3-(4-ethylphenyl)-8-fluorothieno[3,2-c]quinoline-2-carboxylic acid
SMILESCCc1ccc(-c2c(C(=O)O)sc3c2cnc2ccc(F)cc23)cc1
InChIInChI=1S/C20H14FNO2S/c1-2-11-3-5-12(6-4-11)17-15-10-22-16-8-7-13(21)9-14(16)18(15)25-19(17)20(23)24/h3-10H,2H2,1H3,(H,23,24)
InChIKeyFCPLKMHSQDGMPM-UHFFFAOYSA-N
XLogP5.52
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.40
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-ethylphenyl)-8-fluorothieno[3,2-c]quinoline-2-carboxylic acid 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 3-(4-ethylphenyl)-8-fluorothieno[3,2-c]quinoline-2-carboxylic acid?
The IUPAC name of 3-(4-ethylphenyl)-8-fluorothieno[3,2-c]quinoline-2-carboxylic acid (CID 22425161) is 3-(4-ethylphenyl)-8-fluorothieno[3,2-c]quinoline-2-carboxylic acid.
What is the SMILES notation for 3-(4-ethylphenyl)-8-fluorothieno[3,2-c]quinoline-2-carboxylic acid?
The canonical SMILES for 3-(4-ethylphenyl)-8-fluorothieno[3,2-c]quinoline-2-carboxylic acid is CCc1ccc(-c2c(C(=O)O)sc3c2cnc2ccc(F)cc23)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-8-fluorothieno[3,2-c]quinoline-2-carboxylic acid?
The InChIKey is FCPLKMHSQDGMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO2S/c1-2-11-3-5-12(6-4-11)17-15-10-22-16-8-7-13(21)9-14(16)18(15)25-19(17)20(23)24/h3-10H,2H2,1H3,(H,23,24).
What are the key properties of 3-(4-ethylphenyl)-8-fluorothieno[3,2-c]quinoline-2-carboxylic acid?
3-(4-ethylphenyl)-8-fluorothieno[3,2-c]quinoline-2-carboxylic acid has a molecular weight of 351.40 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-8-fluorothieno[3,2-c]quinoline-2-carboxylic acid is sourced from PubChem (CID 22425161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).