2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid

C16H9ClFNO2 — CID 3357522

IUPAC2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2Cl)nc2ccc(F)cc12
InChIInChI=1S/C16H9ClFNO2/c17-13-4-2-1-3-10(13)15-8-12(16(20)21)11-7-9(18)5-6-14(11)19-15/h1-8H,(H,20,21)
InChIKeyDUKHWDBWYGNUJR-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.39
Rot. Bonds2

About 2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid

2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid (PubChem CID 3357522) has the molecular formula C16H9ClFNO2 and a molecular weight of 301.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid
PubChem CID3357522
Molecular FormulaC16H9ClFNO2
Molecular Weight301.70 g/mol
Exact Mass301.03
IUPAC Name2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2Cl)nc2ccc(F)cc12
InChIInChI=1S/C16H9ClFNO2/c17-13-4-2-1-3-10(13)15-8-12(16(20)21)11-7-9(18)5-6-14(11)19-15/h1-8H,(H,20,21)
InChIKeyDUKHWDBWYGNUJR-UHFFFAOYSA-N
XLogP4.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride
CID 46779275
2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid
CID 5238835
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane
CID 143490047
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3991118
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
[2-(2-chlorophenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42749654
3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate
CID 4184777
N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide
CID 3625064
(1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 5182622
6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid
CID 143413176

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid (CID 3357522) is 2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccccc2Cl)nc2ccc(F)cc12.
What is the InChIKey of 2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid?
The InChIKey is DUKHWDBWYGNUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFNO2/c17-13-4-2-1-3-10(13)15-8-12(16(20)21)11-7-9(18)5-6-14(11)19-15/h1-8H,(H,20,21).
What are the key properties of 2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid?
2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid has a molecular weight of 301.70 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid is sourced from PubChem (CID 3357522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).