1-(6-fluoroquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid

C14H12FNO2S — CID 86294311

IUPAC1-(6-fluoroquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Sc2ccnc3ccc(F)cc23)CCC1
InChIInChI=1S/C14H12FNO2S/c15-9-2-3-11-10(8-9)12(4-7-16-11)19-14(13(17)18)5-1-6-14/h2-4,7-8H,1,5-6H2,(H,17,18)
InChIKeyHDRYWSYKVOQBRC-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.47
Rot. Bonds3

About 1-(6-fluoroquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid

1-(6-fluoroquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid (PubChem CID 86294311) has the molecular formula C14H12FNO2S and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(6-fluoroquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-fluoroquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid
PubChem CID86294311
Molecular FormulaC14H12FNO2S
Molecular Weight277.32 g/mol
Exact Mass277.06
IUPAC Name1-(6-fluoroquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Sc2ccnc3ccc(F)cc23)CCC1
InChIInChI=1S/C14H12FNO2S/c15-9-2-3-11-10(8-9)12(4-7-16-11)19-14(13(17)18)5-1-6-14/h2-4,7-8H,1,5-6H2,(H,17,18)
InChIKeyHDRYWSYKVOQBRC-UHFFFAOYSA-N
XLogP3.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ruzinurad
CID 86294127
1-(Quinolin-4-ylthio)cyclobutanecarboxylic acid
CID 86279861
1-((6-(2-Fluorophenyl)quinolin-4-yl)thio)cyclobutanecarboxylic acid
CID 86291609
1-((6-(2-(Trifluoromethyl)phenyl)quinolin-4-yl)thio)cyclobutanecarboxylic acid
CID 86291610
1-((6-Cyclopropylquinolin-4-yl)thio)cyclobutanecarboxylic acid
CID 86291611
1-((6-Methylquinolin-4-yl)thio)cyclobutanecarboxylic acid
CID 86291818
1-((7-Bromoquinolin-4-yl)thio)cyclobutanecarboxylic acid
CID 86291819
1-((6-Bromoquinolin-4-yl)thio)cyclopropanecarboxylic acid
CID 86291820
1-((6-Bromoquinolin-4-yl)thio)cyclopentanecarboxylic acid
CID 86291821
1-((6-(Trifluoromethyl)quinolin-4-yl)thio)cyclobutanecarboxylic acid
CID 86294126
1-((6-(3-Fluorophenyl)quinolin-4-yl)thio)cyclobutanecarboxylic acid
CID 86294305
1-((6-(4-Fluorophenyl)quinolin-4-yl)thio)cyclobutanecarboxylic acid
CID 86294306

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoroquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(6-fluoroquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid (CID 86294311) is 1-(6-fluoroquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(6-fluoroquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(6-fluoroquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid is O=C(O)C1(Sc2ccnc3ccc(F)cc23)CCC1.
What is the InChIKey of 1-(6-fluoroquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid?
The InChIKey is HDRYWSYKVOQBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2S/c15-9-2-3-11-10(8-9)12(4-7-16-11)19-14(13(17)18)5-1-6-14/h2-4,7-8H,1,5-6H2,(H,17,18).
What are the key properties of 1-(6-fluoroquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid?
1-(6-fluoroquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoroquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 86294311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).