2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid

C16H9ClFNO3 — CID 14498162

IUPAC2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid
SMILESO=C(O)c1c(O)c(-c2ccc(Cl)cc2)nc2ccc(F)cc12
InChIInChI=1S/C16H9ClFNO3/c17-9-3-1-8(2-4-9)14-15(20)13(16(21)22)11-7-10(18)5-6-12(11)19-14/h1-7,20H,(H,21,22)
InChIKeyOIHZACRXWGJTAC-UHFFFAOYSA-N
MW317.70 g/mol
LogP4.10
Rot. Bonds2

About 2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid

2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid (PubChem CID 14498162) has the molecular formula C16H9ClFNO3 and a molecular weight of 317.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid
PubChem CID14498162
Molecular FormulaC16H9ClFNO3
Molecular Weight317.70 g/mol
Exact Mass317.03
IUPAC Name2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid
SMILESO=C(O)c1c(O)c(-c2ccc(Cl)cc2)nc2ccc(F)cc12
InChIInChI=1S/C16H9ClFNO3/c17-9-3-1-8(2-4-9)14-15(20)13(16(21)22)11-7-10(18)5-6-12(11)19-14/h1-7,20H,(H,21,22)
InChIKeyOIHZACRXWGJTAC-UHFFFAOYSA-N
XLogP4.10
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid
CID 14498148
6-fluoro-2-[4-(4-hydroxyphenyl)phenyl]-3-methylquinoline-4-carboxylic acid
CID 136722831
3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid
CID 15085956
6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 4712139
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
CID 86309017
2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate
CID 7097759
3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
CID 14498175
6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid
CID 87930625
6-fluoro-3-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxylate
CID 91934812
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
sodium 6-fluoro-3-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxylate
CID 23673428
3-(carboxymethyl)-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 4068247

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid (CID 14498162) is 2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid is O=C(O)c1c(O)c(-c2ccc(Cl)cc2)nc2ccc(F)cc12.
What is the InChIKey of 2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid?
The InChIKey is OIHZACRXWGJTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFNO3/c17-9-3-1-8(2-4-9)14-15(20)13(16(21)22)11-7-10(18)5-6-12(11)19-14/h1-7,20H,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid?
2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid has a molecular weight of 317.70 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid is sourced from PubChem (CID 14498162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).