2-(4-fluorophenyl)sulfanylquinoline-4-carboxylate

C16H9FNO2S- — CID 4550951

IUPAC2-(4-fluorophenyl)sulfanylquinoline-4-carboxylate
SMILESO=C([O-])c1cc(Sc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C16H10FNO2S/c17-10-5-7-11(8-6-10)21-15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)/p-1
InChIKeyXYUQIVFGIFSMAV-UHFFFAOYSA-M
MW298.32 g/mol
LogP2.89
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylate

2-(4-fluorophenyl)sulfanylquinoline-4-carboxylate (PubChem CID 4550951) has the molecular formula C16H9FNO2S- and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylate.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanylquinoline-4-carboxylate
PubChem CID4550951
Molecular FormulaC16H9FNO2S-
Molecular Weight298.32 g/mol
Exact Mass298.03
IUPAC Name2-(4-fluorophenyl)sulfanylquinoline-4-carboxylate
SMILESO=C([O-])c1cc(Sc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C16H10FNO2S/c17-10-5-7-11(8-6-10)21-15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)/p-1
InChIKeyXYUQIVFGIFSMAV-UHFFFAOYSA-M
XLogP2.89
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethylphenyl)sulfanylquinoline-4-carboxylate
CID 5079957
N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide
CID 4185757
diethyl-[3-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl]azanium
CID 5069378
ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)
CID 139141812
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
2-methylsulfanylquinoline-4-carboxylic acid
CID 15179620
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
2-(2-ethoxy-2-oxoethyl)sulfanylquinoline-4-carboxylate
CID 5067222
2-(2,4-difluorophenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 5218637
N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
CID 3491620
2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide
CID 5218638
1-(4-fluorophenyl)sulfanylisoquinoline-4-carboxylic acid
CID 106767741

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylate?
The IUPAC name of 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylate (CID 4550951) is 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylate.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylate?
The canonical SMILES for 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylate is O=C([O-])c1cc(Sc2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylate?
The InChIKey is XYUQIVFGIFSMAV-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H10FNO2S/c17-10-5-7-11(8-6-10)21-15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)/p-1.
What are the key properties of 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylate?
2-(4-fluorophenyl)sulfanylquinoline-4-carboxylate has a molecular weight of 298.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylate is sourced from PubChem (CID 4550951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).