6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid

C14H7F2NO2S — CID 80746977

IUPAC6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccsc2)nc2cc(F)c(F)cc12
InChIInChI=1S/C14H7F2NO2S/c15-10-3-8-9(14(18)19)4-12(7-1-2-20-6-7)17-13(8)5-11(10)16/h1-6H,(H,18,19)
InChIKeyJBNPNXKKMBJUIT-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.94
Rot. Bonds2

About 6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid

6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid (PubChem CID 80746977) has the molecular formula C14H7F2NO2S and a molecular weight of 291.28 g/mol. Its IUPAC name is 6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid
PubChem CID80746977
Molecular FormulaC14H7F2NO2S
Molecular Weight291.28 g/mol
Exact Mass291.02
IUPAC Name6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccsc2)nc2cc(F)c(F)cc12
InChIInChI=1S/C14H7F2NO2S/c15-10-3-8-9(14(18)19)4-12(7-1-2-20-6-7)17-13(8)5-11(10)16/h1-6H,(H,18,19)
InChIKeyJBNPNXKKMBJUIT-UHFFFAOYSA-N
XLogP3.94
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid
CID 62090461
6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid
CID 18073660
8-thiophen-3-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073747
2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid
CID 107354657
7,8-dichloro-2-thiophen-3-ylquinoline-4-carboxylic acid
CID 63462654
6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid
CID 91392997
6,7-difluoro-2-thiophen-3-yl-3H-quinazolin-4-one
CID 163404502
piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749462
1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 42749505
2-(3,4-difluorophenyl)quinoline-4-carboxylic acid
CID 4611633
7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073489
6-bromo-7-fluoro-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 61357543

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid?
The IUPAC name of 6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid (CID 80746977) is 6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccsc2)nc2cc(F)c(F)cc12.
What is the InChIKey of 6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid?
The InChIKey is JBNPNXKKMBJUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2NO2S/c15-10-3-8-9(14(18)19)4-12(7-1-2-20-6-7)17-13(8)5-11(10)16/h1-6H,(H,18,19).
What are the key properties of 6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid?
6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid has a molecular weight of 291.28 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 80746977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).