6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid

C16H9ClFNO2 — CID 3899945

IUPAC6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H9ClFNO2/c17-10-3-6-14-12(7-10)13(16(20)21)8-15(19-14)9-1-4-11(18)5-2-9/h1-8H,(H,20,21)
InChIKeyUCPDXZVVNONBHY-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.39
Rot. Bonds2

About 6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid

6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid (PubChem CID 3899945) has the molecular formula C16H9ClFNO2 and a molecular weight of 301.70 g/mol. Its IUPAC name is 6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
PubChem CID3899945
Molecular FormulaC16H9ClFNO2
Molecular Weight301.70 g/mol
Exact Mass301.03
IUPAC Name6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H9ClFNO2/c17-10-3-6-14-12(7-10)13(16(20)21)8-15(19-14)9-1-4-11(18)5-2-9/h1-8H,(H,20,21)
InChIKeyUCPDXZVVNONBHY-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-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3789667
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7452999
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265
2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
CID 18073531
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
6-chloro-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid
CID 7454997
2-(4-tert-butylphenyl)-6-chloroquinoline-4-carbonyl chloride
CID 46779410
6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 18073438
6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid
CID 153380344
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
6-(4-chlorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548743

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid (CID 3899945) is 6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(F)cc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid?
The InChIKey is UCPDXZVVNONBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFNO2/c17-10-3-6-14-12(7-10)13(16(20)21)8-15(19-14)9-1-4-11(18)5-2-9/h1-8H,(H,20,21).
What are the key properties of 6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid?
6-chloro-2-(4-fluorophenyl)quinoline-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 6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 3899945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).