2-(4-bromothiophen-2-yl)-6-fluoro-8-methylquinoline-4-carboxylic acid

C15H9BrFNO2S — CID 107354659

IUPAC2-(4-bromothiophen-2-yl)-6-fluoro-8-methylquinoline-4-carboxylic acid
SMILESCc1cc(F)cc2c(C(=O)O)cc(-c3cc(Br)cs3)nc12
InChIInChI=1S/C15H9BrFNO2S/c1-7-2-9(17)4-10-11(15(19)20)5-12(18-14(7)10)13-3-8(16)6-21-13/h2-6H,1H3,(H,19,20)
InChIKeyFVNHJOIFTWGHPY-UHFFFAOYSA-N
MW366.21 g/mol
LogP4.87
Rot. Bonds2

About 2-(4-bromothiophen-2-yl)-6-fluoro-8-methylquinoline-4-carboxylic acid

2-(4-bromothiophen-2-yl)-6-fluoro-8-methylquinoline-4-carboxylic acid (PubChem CID 107354659) has the molecular formula C15H9BrFNO2S and a molecular weight of 366.21 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-6-fluoro-8-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-6-fluoro-8-methylquinoline-4-carboxylic acid
PubChem CID107354659
Molecular FormulaC15H9BrFNO2S
Molecular Weight366.21 g/mol
Exact Mass364.95
IUPAC Name2-(4-bromothiophen-2-yl)-6-fluoro-8-methylquinoline-4-carboxylic acid
SMILESCc1cc(F)cc2c(C(=O)O)cc(-c3cc(Br)cs3)nc12
InChIInChI=1S/C15H9BrFNO2S/c1-7-2-9(17)4-10-11(15(19)20)5-12(18-14(7)10)13-3-8(16)6-21-13/h2-6H,1H3,(H,19,20)
InChIKeyFVNHJOIFTWGHPY-UHFFFAOYSA-N
XLogP4.87
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-5,8-difluoroquinoline-4-carboxylic acid
CID 107354658
2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid
CID 107354657
4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid
CID 97033444
8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 63463310
2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid
CID 997473
6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 5024097
6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 60984137
6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid
CID 64988724
2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
CID 63462150
4-chloro-6-fluoro-8-methylquinoline-2-carboxylic acid
CID 63376825
6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid
CID 4712144
2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 104653273

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-6-fluoro-8-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-bromothiophen-2-yl)-6-fluoro-8-methylquinoline-4-carboxylic acid (CID 107354659) is 2-(4-bromothiophen-2-yl)-6-fluoro-8-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-6-fluoro-8-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-6-fluoro-8-methylquinoline-4-carboxylic acid is Cc1cc(F)cc2c(C(=O)O)cc(-c3cc(Br)cs3)nc12.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-6-fluoro-8-methylquinoline-4-carboxylic acid?
The InChIKey is FVNHJOIFTWGHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFNO2S/c1-7-2-9(17)4-10-11(15(19)20)5-12(18-14(7)10)13-3-8(16)6-21-13/h2-6H,1H3,(H,19,20).
What are the key properties of 2-(4-bromothiophen-2-yl)-6-fluoro-8-methylquinoline-4-carboxylic acid?
2-(4-bromothiophen-2-yl)-6-fluoro-8-methylquinoline-4-carboxylic acid has a molecular weight of 366.21 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-6-fluoro-8-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 107354659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).