potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate

C15H9ClKNO2S — CID 23686843

IUPACpotassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate
SMILESCc1ccc2nc(-c3ccc(Cl)s3)cc(C(=O)[O-])c2c1.[K+]
InChIInChI=1S/C15H10ClNO2S.K/c1-8-2-3-11-9(6-8)10(15(18)19)7-12(17-11)13-4-5-14(16)20-13;/h2-7H,1H3,(H,18,19);/q;+1/p-1
InChIKeyNVTGXGLKGMQZIY-UHFFFAOYSA-M
MW341.86 g/mol
LogP0.29
Rot. Bonds2

About potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate

potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate (PubChem CID 23686843) has the molecular formula C15H9ClKNO2S and a molecular weight of 341.86 g/mol. Its IUPAC name is potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate.

Molecular Properties

Compound Namepotassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate
PubChem CID23686843
Molecular FormulaC15H9ClKNO2S
Molecular Weight341.86 g/mol
Exact Mass340.97
IUPAC Namepotassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate
SMILESCc1ccc2nc(-c3ccc(Cl)s3)cc(C(=O)[O-])c2c1.[K+]
InChIInChI=1S/C15H10ClNO2S.K/c1-8-2-3-11-9(6-8)10(15(18)19)7-12(17-11)13-4-5-14(16)20-13;/h2-7H,1H3,(H,18,19);/q;+1/p-1
InChIKeyNVTGXGLKGMQZIY-UHFFFAOYSA-M
XLogP0.29
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate 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 potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate?
The IUPAC name of potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate (CID 23686843) is potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate.
What is the SMILES notation for potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate?
The canonical SMILES for potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate is Cc1ccc2nc(-c3ccc(Cl)s3)cc(C(=O)[O-])c2c1.[K+].
What is the InChIKey of potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate?
The InChIKey is NVTGXGLKGMQZIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H10ClNO2S.K/c1-8-2-3-11-9(6-8)10(15(18)19)7-12(17-11)13-4-5-14(16)20-13;/h2-7H,1H3,(H,18,19);/q;+1/p-1.
What are the key properties of potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate?
potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate has a molecular weight of 341.86 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate is sourced from PubChem (CID 23686843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).