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

C18H11FN2O2S — CID 50941956

IUPAC4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1ccc(F)cc1)c1ccsc12
InChIInChI=1S/C18H11FN2O2S/c19-11-2-4-12(5-3-11)20-17-14-7-8-24-16(14)13-6-1-10(18(22)23)9-15(13)21-17/h1-9H,(H,20,21)(H,22,23)
InChIKeyMMZQFCWYNFBQSC-UHFFFAOYSA-N
MW338.36 g/mol
LogP5.03
Rot. Bonds3

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

4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid (PubChem CID 50941956) has the molecular formula C18H11FN2O2S and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid
PubChem CID50941956
Molecular FormulaC18H11FN2O2S
Molecular Weight338.36 g/mol
Exact Mass338.05
IUPAC Name4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1ccc(F)cc1)c1ccsc12
InChIInChI=1S/C18H11FN2O2S/c19-11-2-4-12(5-3-11)20-17-14-7-8-24-16(14)13-6-1-10(18(22)23)9-15(13)21-17/h1-9H,(H,20,21)(H,22,23)
InChIKeyMMZQFCWYNFBQSC-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid?
The IUPAC name of 4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid (CID 50941956) is 4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid.
What is the SMILES notation for 4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid?
The canonical SMILES for 4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid is O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)cc1)c1ccsc12.
What is the InChIKey of 4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid?
The InChIKey is MMZQFCWYNFBQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O2S/c19-11-2-4-12(5-3-11)20-17-14-7-8-24-16(14)13-6-1-10(18(22)23)9-15(13)21-17/h1-9H,(H,20,21)(H,22,23).
What are the key properties of 4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid?
4-(4-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-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid is sourced from PubChem (CID 50941956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).