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

C18H12ClN3OS — CID 58189563

IUPAC4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxamide
SMILESNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccsc12
InChIInChI=1S/C18H12ClN3OS/c19-13-6-1-2-7-14(13)21-18-12-8-9-24-16(12)10-4-3-5-11(17(20)23)15(10)22-18/h1-9H,(H2,20,23)(H,21,22)
InChIKeyQBBDBUVPJDYPLQ-UHFFFAOYSA-N
MW353.83 g/mol
LogP4.95
Rot. Bonds3

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

4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxamide (PubChem CID 58189563) has the molecular formula C18H12ClN3OS and a molecular weight of 353.83 g/mol. Its IUPAC name is 4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxamide.

Molecular Properties

Compound Name4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxamide
PubChem CID58189563
Molecular FormulaC18H12ClN3OS
Molecular Weight353.83 g/mol
Exact Mass353.04
IUPAC Name4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxamide
SMILESNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccsc12
InChIInChI=1S/C18H12ClN3OS/c19-13-6-1-2-7-14(13)21-18-12-8-9-24-16(12)10-4-3-5-11(17(20)23)15(10)22-18/h1-9H,(H2,20,23)(H,21,22)
InChIKeyQBBDBUVPJDYPLQ-UHFFFAOYSA-N
XLogP4.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxamide 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 4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxamide?
The IUPAC name of 4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxamide (CID 58189563) is 4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxamide.
What is the SMILES notation for 4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxamide?
The canonical SMILES for 4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxamide is NC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccsc12.
What is the InChIKey of 4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxamide?
The InChIKey is QBBDBUVPJDYPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3OS/c19-13-6-1-2-7-14(13)21-18-12-8-9-24-16(12)10-4-3-5-11(17(20)23)15(10)22-18/h1-9H,(H2,20,23)(H,21,22).
What are the key properties of 4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxamide?
4-(2-chloroanilino)thieno[3,2-c]quinoline-6-carboxamide has a molecular weight of 353.83 g/mol, XLogP of 4.95, 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-carboxamide is sourced from PubChem (CID 58189563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).