6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid

C14H8ClNO2S — CID 625807

IUPAC6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nc2ccc(Cl)cc12
InChIInChI=1S/C14H8ClNO2S/c15-8-3-4-11-9(6-8)10(14(17)18)7-12(16-11)13-2-1-5-19-13/h1-7H,(H,17,18)
InChIKeyYAEBJLYHBXALJR-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.31
Rot. Bonds2

About 6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid

6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid (PubChem CID 625807) has the molecular formula C14H8ClNO2S and a molecular weight of 289.74 g/mol. Its IUPAC name is 6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid
PubChem CID625807
Molecular FormulaC14H8ClNO2S
Molecular Weight289.74 g/mol
Exact Mass289.00
IUPAC Name6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nc2ccc(Cl)cc12
InChIInChI=1S/C14H8ClNO2S/c15-8-3-4-11-9(6-8)10(14(17)18)7-12(16-11)13-2-1-5-19-13/h1-7H,(H,17,18)
InChIKeyYAEBJLYHBXALJR-UHFFFAOYSA-N
XLogP4.31
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 1016749
6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 860396
6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 3374925
6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3789667
6-pyrrolidin-1-ylsulfonyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 3509609
5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 106988454
5,8-difluoro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 83215779
5-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 29051523
6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 86004329
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265
6-chloro-2-thiophen-2-yl-3,1-benzoxazin-4-one
CID 574259
methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate
CID 164676976

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid (CID 625807) is 6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2cccs2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid?
The InChIKey is YAEBJLYHBXALJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO2S/c15-8-3-4-11-9(6-8)10(14(17)18)7-12(16-11)13-2-1-5-19-13/h1-7H,(H,17,18).
What are the key properties of 6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid?
6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid has a molecular weight of 289.74 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 625807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).