6-fluoro-3-hydroxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid

C22H14FNO3 — CID 14498146

IUPAC6-fluoro-3-hydroxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1c(O)c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C22H14FNO3/c23-16-10-11-18-17(12-16)19(22(26)27)21(25)20(24-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,25H,(H,26,27)
InChIKeyHVOMQBZOFIMPOL-UHFFFAOYSA-N
MW359.36 g/mol
LogP5.11
Rot. Bonds3

About 6-fluoro-3-hydroxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid

6-fluoro-3-hydroxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid (PubChem CID 14498146) has the molecular formula C22H14FNO3 and a molecular weight of 359.36 g/mol. Its IUPAC name is 6-fluoro-3-hydroxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-3-hydroxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid
PubChem CID14498146
Molecular FormulaC22H14FNO3
Molecular Weight359.36 g/mol
Exact Mass359.10
IUPAC Name6-fluoro-3-hydroxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1c(O)c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C22H14FNO3/c23-16-10-11-18-17(12-16)19(22(26)27)21(25)20(24-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,25H,(H,26,27)
InChIKeyHVOMQBZOFIMPOL-UHFFFAOYSA-N
XLogP5.11
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.36
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-hydroxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-3-hydroxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid (CID 14498146) is 6-fluoro-3-hydroxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-3-hydroxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-3-hydroxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid is O=C(O)c1c(O)c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-3-hydroxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid?
The InChIKey is HVOMQBZOFIMPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FNO3/c23-16-10-11-18-17(12-16)19(22(26)27)21(25)20(24-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,25H,(H,26,27).
What are the key properties of 6-fluoro-3-hydroxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid?
6-fluoro-3-hydroxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid has a molecular weight of 359.36 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-hydroxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 14498146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).