4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxylic acid

C18H11ClN2O2S — CID 58189540

IUPAC4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxylic acid
SMILESO=C(O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccsc12
InChIInChI=1S/C18H11ClN2O2S/c19-13-6-1-2-7-14(13)20-17-12-8-9-24-16(12)10-4-3-5-11(18(22)23)15(10)21-17/h1-9H,(H,20,21)(H,22,23)
InChIKeyKLARKHWRPZGSDO-UHFFFAOYSA-N
MW354.82 g/mol
LogP5.54
Rot. Bonds3

About 4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxylic acid

4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxylic acid (PubChem CID 58189540) has the molecular formula C18H11ClN2O2S and a molecular weight of 354.82 g/mol. Its IUPAC name is 4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxylic acid
PubChem CID58189540
Molecular FormulaC18H11ClN2O2S
Molecular Weight354.82 g/mol
Exact Mass354.02
IUPAC Name4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxylic acid
SMILESO=C(O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccsc12
InChIInChI=1S/C18H11ClN2O2S/c19-13-6-1-2-7-14(13)20-17-12-8-9-24-16(12)10-4-3-5-11(18(22)23)15(10)21-17/h1-9H,(H,20,21)(H,22,23)
InChIKeyKLARKHWRPZGSDO-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-Chloroanilino)thieno[3,2-c]quinoline-7-carboxylic acid
CID 50941959
4-(2-chloroanilino)-N-methylthieno[3,2-c]quinoline-6-carboxamide
CID 51036250
4-(2-Chlorophenylamino)thieno[3,2-c]quinoline-6-carboxarnide
CID 58189563
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-(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-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxylic acid?
The IUPAC name of 4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxylic acid (CID 58189540) is 4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxylic acid.
What is the SMILES notation for 4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxylic acid?
The canonical SMILES for 4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxylic acid is O=C(O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccsc12.
What is the InChIKey of 4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxylic acid?
The InChIKey is KLARKHWRPZGSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O2S/c19-13-6-1-2-7-14(13)20-17-12-8-9-24-16(12)10-4-3-5-11(18(22)23)15(10)21-17/h1-9H,(H,20,21)(H,22,23).
What are the key properties of 4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxylic acid?
4-(2-chloroanilino)thieno[3,2-c]quinoline-6-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-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxylic acid is sourced from PubChem (CID 58189540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).