8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid

C16H12FNO2S — CID 63463310

IUPAC8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
SMILESCc1cc(F)c2nc(-c3ccc(C)s3)cc(C(=O)O)c2c1
InChIInChI=1S/C16H12FNO2S/c1-8-5-10-11(16(19)20)7-13(14-4-3-9(2)21-14)18-15(10)12(17)6-8/h3-7H,1-2H3,(H,19,20)
InChIKeyYGFVXKZDHPYZFM-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.42
Rot. Bonds2

About 8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid

8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid (PubChem CID 63463310) has the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol. Its IUPAC name is 8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
PubChem CID63463310
Molecular FormulaC16H12FNO2S
Molecular Weight301.34 g/mol
Exact Mass301.06
IUPAC Name8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
SMILESCc1cc(F)c2nc(-c3ccc(C)s3)cc(C(=O)O)c2c1
InChIInChI=1S/C16H12FNO2S/c1-8-5-10-11(16(19)20)7-13(14-4-3-9(2)21-14)18-15(10)12(17)6-8/h3-7H,1-2H3,(H,19,20)
InChIKeyYGFVXKZDHPYZFM-UHFFFAOYSA-N
XLogP4.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethylthiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid
CID 5097101
2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 4001748
2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
CID 63462150
2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 3918730
7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4016668
6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 5024097
8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 1227056
7,8-dimethyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylate
CID 4513061
8-bromo-2,6-dimethylquinoline-4-carboxylic acid
CID 82184081
5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 29041657
2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride
CID 46779249
5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid
CID 63462330

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid (CID 63463310) is 8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid is Cc1cc(F)c2nc(-c3ccc(C)s3)cc(C(=O)O)c2c1.
What is the InChIKey of 8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid?
The InChIKey is YGFVXKZDHPYZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S/c1-8-5-10-11(16(19)20)7-13(14-4-3-9(2)21-14)18-15(10)12(17)6-8/h3-7H,1-2H3,(H,19,20).
What are the key properties of 8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid?
8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 63463310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).