6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate

C16H8F2NO2- — CID 7452999

IUPAC6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccc(F)cc2)nc2ccc(F)cc12
InChIInChI=1S/C16H9F2NO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21)/p-1
InChIKeyDLTHWCUZIHGUBY-UHFFFAOYSA-M
MW284.24 g/mol
LogP2.54
Rot. Bonds2

About 6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate

6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate (PubChem CID 7452999) has the molecular formula C16H8F2NO2- and a molecular weight of 284.24 g/mol. Its IUPAC name is 6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate
PubChem CID7452999
Molecular FormulaC16H8F2NO2-
Molecular Weight284.24 g/mol
Exact Mass284.05
IUPAC Name6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccc(F)cc2)nc2ccc(F)cc12
InChIInChI=1S/C16H9F2NO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21)/p-1
InChIKeyDLTHWCUZIHGUBY-UHFFFAOYSA-M
XLogP2.54
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate
CID 4512118
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid
CID 153380344
6-bromo-2-phenylquinoline-4-carboxylate
CID 6974957
6-bromo-2-(4-methylsulfanylphenyl)quinoline-4-carboxylate
CID 6959218
6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate
CID 7172625
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
2-(4-fluorophenyl)-6-methyl-N-(4-methylphenyl)quinoline-4-carboxamide
CID 42749727
ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)
CID 139141812
6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid
CID 153380413
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 42749728

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate?
The IUPAC name of 6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate (CID 7452999) is 6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for 6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate?
The canonical SMILES for 6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate is O=C([O-])c1cc(-c2ccc(F)cc2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate?
The InChIKey is DLTHWCUZIHGUBY-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H9F2NO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21)/p-1.
What are the key properties of 6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate?
6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate has a molecular weight of 284.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 7452999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).