4-(3-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid

C18H11FN2O2S — CID 50941957

IUPAC4-(3-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1ccsc12
InChIInChI=1S/C18H11FN2O2S/c19-11-2-1-3-12(9-11)20-17-14-6-7-24-16(14)13-5-4-10(18(22)23)8-15(13)21-17/h1-9H,(H,20,21)(H,22,23)
InChIKeyRVOLYWVRVMEJDT-UHFFFAOYSA-N
MW338.36 g/mol
LogP5.03
Rot. Bonds3

About 4-(3-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid

4-(3-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid (PubChem CID 50941957) has the molecular formula C18H11FN2O2S and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-(3-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid
PubChem CID50941957
Molecular FormulaC18H11FN2O2S
Molecular Weight338.36 g/mol
Exact Mass338.05
IUPAC Name4-(3-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1ccsc12
InChIInChI=1S/C18H11FN2O2S/c19-11-2-1-3-12(9-11)20-17-14-6-7-24-16(14)13-5-4-10(18(22)23)8-15(13)21-17/h1-9H,(H,20,21)(H,22,23)
InChIKeyRVOLYWVRVMEJDT-UHFFFAOYSA-N
XLogP5.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.36
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Hydroxypropylamino)thieno[3,2-c]quinoline-7-carboxylic acid
CID 50941855
4-(3-Chloroanilino)thieno[3,2-c]quinoline-7-carboxylic acid
CID 50941959
4-(2-Chlorophenylamino)thieno[3,2-c]quinoline-6-carboxylic acid
CID 58189540
4,7-diacetyl-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-1-benzothiophene-2-carboxamide
CID 118658396
2-(7-Acetyl-4-(methoxymethyl)-3-methylbenzo[b]thiophene-2-carboxamido)quinoline-5-carboxylic acid
CID 118658374
4-Anilinothieno[3,2-c]pyridine-6-carboxylic acid
CID 53317960
4-[3-(Methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid
CID 53317962
4-(2-Methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53320599
4-(3-Fluoroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53323250
4-(3-Ethynylanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53323251
4-(2-Phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53325334
4-(4-Fluoroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53325886

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid?
The IUPAC name of 4-(3-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid (CID 50941957) is 4-(3-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid.
What is the SMILES notation for 4-(3-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid?
The canonical SMILES for 4-(3-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid is O=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1ccsc12.
What is the InChIKey of 4-(3-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid?
The InChIKey is RVOLYWVRVMEJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O2S/c19-11-2-1-3-12(9-11)20-17-14-6-7-24-16(14)13-5-4-10(18(22)23)8-15(13)21-17/h1-9H,(H,20,21)(H,22,23).
What are the key properties of 4-(3-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid?
4-(3-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid has a molecular weight of 338.36 g/mol, XLogP of 5.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid is sourced from PubChem (CID 50941957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).