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

C23H16FNO2 — CID 1543

IUPAC6-fluoro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid
SMILESCc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)O
InChIInChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)
InChIKeyWYKKHJQZENLZID-UHFFFAOYSA-N
MW357.38 g/mol
LogP5.71
Rot. Bonds3

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

6-fluoro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid (PubChem CID 1543) has the molecular formula C23H16FNO2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 6-fluoro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid
PubChem CID1543
Molecular FormulaC23H16FNO2
Molecular Weight357.38 g/mol
Exact Mass357.12
IUPAC Name6-fluoro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid
SMILESCc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)O
InChIInChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)
InChIKeyWYKKHJQZENLZID-UHFFFAOYSA-N
XLogP5.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.38
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid (CID 1543) is 6-fluoro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid is Cc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)O.
What is the InChIKey of 6-fluoro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid?
The InChIKey is WYKKHJQZENLZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27).
What are the key properties of 6-fluoro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid?
6-fluoro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid has a molecular weight of 357.38 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 1543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).