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

C18H11ClN2O2S — CID 50941959

IUPAC4-(3-chloroanilino)thieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccsc12
InChIInChI=1S/C18H11ClN2O2S/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)
InChIKeyARUPQDKEVCEXQP-UHFFFAOYSA-N
MW354.82 g/mol
LogP5.54
Rot. Bonds3

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

4-(3-chloroanilino)thieno[3,2-c]quinoline-7-carboxylic acid (PubChem CID 50941959) has the molecular formula C18H11ClN2O2S and a molecular weight of 354.82 g/mol. Its IUPAC name is 4-(3-chloroanilino)thieno[3,2-c]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloroanilino)thieno[3,2-c]quinoline-7-carboxylic acid
PubChem CID50941959
Molecular FormulaC18H11ClN2O2S
Molecular Weight354.82 g/mol
Exact Mass354.02
IUPAC Name4-(3-chloroanilino)thieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccsc12
InChIInChI=1S/C18H11ClN2O2S/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)
InChIKeyARUPQDKEVCEXQP-UHFFFAOYSA-N
XLogP5.54
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.82
LogP ≤ 55.54
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-(2-Chlorophenylamino)thieno[3,2-c]quinoline-6-carboxylic acid
CID 58189540
4-(3-Chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53316657
4-(4-Chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53324596
4-[2-(Dimethylamino)ethylamino]thieno[3,2-c]quinoline-7-carboxylic acid
CID 50941858
4-(Phenylamino)thieno[3,2-c]quinoline-7-carboxylic acid
CID 50941860
4-(2-Phenylethylamino)thieno[3,2-c]quinoline-7-carboxylic acid
CID 50941863
4-(4-Fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid
CID 50941956
4-(3-Fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid
CID 50941957
4-(4-Chloroanilino)thieno[3,2-c]quinoline-7-carboxylic acid
CID 50941958
4-(3-Ethynylanilino)thieno[3,2-c]quinoline-7-carboxylic acid
CID 50941961
4-[3-(Methylcarbamoyl)anilino]thieno[3,2-c]quinoline-7-carboxylic acid
CID 50942049

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroanilino)thieno[3,2-c]quinoline-7-carboxylic acid?
The IUPAC name of 4-(3-chloroanilino)thieno[3,2-c]quinoline-7-carboxylic acid (CID 50941959) is 4-(3-chloroanilino)thieno[3,2-c]quinoline-7-carboxylic acid.
What is the SMILES notation for 4-(3-chloroanilino)thieno[3,2-c]quinoline-7-carboxylic acid?
The canonical SMILES for 4-(3-chloroanilino)thieno[3,2-c]quinoline-7-carboxylic acid is O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccsc12.
What is the InChIKey of 4-(3-chloroanilino)thieno[3,2-c]quinoline-7-carboxylic acid?
The InChIKey is ARUPQDKEVCEXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O2S/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-chloroanilino)thieno[3,2-c]quinoline-7-carboxylic acid?
4-(3-chloroanilino)thieno[3,2-c]quinoline-7-carboxylic acid has a molecular weight of 354.82 g/mol, XLogP of 5.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroanilino)thieno[3,2-c]quinoline-7-carboxylic acid is sourced from PubChem (CID 50941959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).