2-(7-fluoroquinolin-4-yl)sulfanylacetic acid

C11H8FNO2S — CID 54773018

IUPAC2-(7-fluoroquinolin-4-yl)sulfanylacetic acid
SMILESO=C(O)CSc1ccnc2cc(F)ccc12
InChIInChI=1S/C11H8FNO2S/c12-7-1-2-8-9(5-7)13-4-3-10(8)16-6-11(14)15/h1-5H,6H2,(H,14,15)
InChIKeyDEIJIRZUQAFGPM-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.55
Rot. Bonds3

About 2-(7-fluoroquinolin-4-yl)sulfanylacetic acid

2-(7-fluoroquinolin-4-yl)sulfanylacetic acid (PubChem CID 54773018) has the molecular formula C11H8FNO2S and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(7-fluoroquinolin-4-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(7-fluoroquinolin-4-yl)sulfanylacetic acid
PubChem CID54773018
Molecular FormulaC11H8FNO2S
Molecular Weight237.25 g/mol
Exact Mass237.03
IUPAC Name2-(7-fluoroquinolin-4-yl)sulfanylacetic acid
SMILESO=C(O)CSc1ccnc2cc(F)ccc12
InChIInChI=1S/C11H8FNO2S/c12-7-1-2-8-9(5-7)13-4-3-10(8)16-6-11(14)15/h1-5H,6H2,(H,14,15)
InChIKeyDEIJIRZUQAFGPM-UHFFFAOYSA-N
XLogP2.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-bromoquinolin-4-yl)sulfanylacetic acid
CID 43840483
2-(6,7-diethoxyquinolin-4-yl)sulfanylacetic acid
CID 50877322
7-fluoroquinoline-4-carboxylic acid
CID 18475507
2-[(7-fluoroquinolin-4-yl)amino]acetic acid
CID 83837512
3-(7-chloroquinolin-4-yl)sulfanylpropanoic acid
CID 24705650
(2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid
CID 122050192
2-(7-fluoroquinazolin-4-yl)acetic acid
CID 105458358
2-(6-fluoro-2-propan-2-ylquinazolin-4-yl)sulfanylacetic acid
CID 165499169
2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
CID 43661245
7-fluoro-4-iodoquinoline
CID 118066569
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid
CID 112707958

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoroquinolin-4-yl)sulfanylacetic acid?
The IUPAC name of 2-(7-fluoroquinolin-4-yl)sulfanylacetic acid (CID 54773018) is 2-(7-fluoroquinolin-4-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(7-fluoroquinolin-4-yl)sulfanylacetic acid?
The canonical SMILES for 2-(7-fluoroquinolin-4-yl)sulfanylacetic acid is O=C(O)CSc1ccnc2cc(F)ccc12.
What is the InChIKey of 2-(7-fluoroquinolin-4-yl)sulfanylacetic acid?
The InChIKey is DEIJIRZUQAFGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c12-7-1-2-8-9(5-7)13-4-3-10(8)16-6-11(14)15/h1-5H,6H2,(H,14,15).
What are the key properties of 2-(7-fluoroquinolin-4-yl)sulfanylacetic acid?
2-(7-fluoroquinolin-4-yl)sulfanylacetic acid has a molecular weight of 237.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoroquinolin-4-yl)sulfanylacetic acid is sourced from PubChem (CID 54773018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).