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

C16H13NO2S — CID 860396

IUPAC6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
SMILESCCc1ccc2nc(-c3cccs3)cc(C(=O)O)c2c1
InChIInChI=1S/C16H13NO2S/c1-2-10-5-6-13-11(8-10)12(16(18)19)9-14(17-13)15-4-3-7-20-15/h3-9H,2H2,1H3,(H,18,19)
InChIKeyKIQARWZTNCCNMN-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.22
Rot. Bonds3

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

6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid (PubChem CID 860396) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
PubChem CID860396
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
SMILESCCc1ccc2nc(-c3cccs3)cc(C(=O)O)c2c1
InChIInChI=1S/C16H13NO2S/c1-2-10-5-6-13-11(8-10)12(16(18)19)9-14(17-13)15-4-3-7-20-15/h3-9H,2H2,1H3,(H,18,19)
InChIKeyKIQARWZTNCCNMN-UHFFFAOYSA-N
XLogP4.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid
CID 63463304
6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 1016749
6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 625807
6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 3374925
6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 86004329
methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate
CID 164676976
N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 4247339
2-bromo-6-ethylquinoline-4-carboxylic acid
CID 82184197
6-pyrrolidin-1-ylsulfonyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 3509609
2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
CID 4021744
N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42749781
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid (CID 860396) is 6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid is CCc1ccc2nc(-c3cccs3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid?
The InChIKey is KIQARWZTNCCNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-2-10-5-6-13-11(8-10)12(16(18)19)9-14(17-13)15-4-3-7-20-15/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid?
6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 860396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).