3,5,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxylic acid

C17H15NO2S — CID 63463303

IUPAC3,5,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
SMILESCc1cc(C)c2c(C(=O)O)c(C)c(-c3cccs3)nc2c1
InChIInChI=1S/C17H15NO2S/c1-9-7-10(2)14-12(8-9)18-16(13-5-4-6-21-13)11(3)15(14)17(19)20/h4-8H,1-3H3,(H,19,20)
InChIKeyWKJKHGNQCBYKAR-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.59
Rot. Bonds2

About 3,5,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxylic acid

3,5,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxylic acid (PubChem CID 63463303) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3,5,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name3,5,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
PubChem CID63463303
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name3,5,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
SMILESCc1cc(C)c2c(C(=O)O)c(C)c(-c3cccs3)nc2c1
InChIInChI=1S/C17H15NO2S/c1-9-7-10(2)14-12(8-9)18-16(13-5-4-6-21-13)11(3)15(14)17(19)20/h4-8H,1-3H3,(H,19,20)
InChIKeyWKJKHGNQCBYKAR-UHFFFAOYSA-N
XLogP4.59
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 82290615
2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82119973
4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538
4-(3,5-dimethyl-4-thiophen-2-ylphenyl)-2,6-dimethylbenzoic acid
CID 141257955
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
2-methyl-6-thiophen-2-ylbenzoic acid
CID 53224798
2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid
CID 18073411
4-bromo-6-methyl-2-thiophen-2-ylquinolin-3-ol
CID 44552504
2-methyl-4-thiophen-2-ylbenzene-1,3-dicarboxylic acid
CID 151454780
methyl 4-[(6-bromo-3-methyl-2-thiophen-2-ylquinoline-4-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylate
CID 122551192
4-methyl-6-thiophen-2-ylbenzene-1,3-dicarboxylic acid
CID 150937146
1,2,3-trimethylacridine-9-carboxylic acid
CID 88617355

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 3,5,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxylic acid (CID 63463303) is 3,5,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 3,5,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 3,5,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxylic acid is Cc1cc(C)c2c(C(=O)O)c(C)c(-c3cccs3)nc2c1.
What is the InChIKey of 3,5,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxylic acid?
The InChIKey is WKJKHGNQCBYKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-9-7-10(2)14-12(8-9)18-16(13-5-4-6-21-13)11(3)15(14)17(19)20/h4-8H,1-3H3,(H,19,20).
What are the key properties of 3,5,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxylic acid?
3,5,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 63463303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).