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

C22H14FNO4 — CID 14498174

IUPAC6-fluoro-3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1c(O)c(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C22H14FNO4/c23-14-8-11-18-17(12-14)19(22(26)27)21(25)20(24-18)13-6-9-16(10-7-13)28-15-4-2-1-3-5-15/h1-12,25H,(H,26,27)
InChIKeyIPGIAYVDCHHTSP-UHFFFAOYSA-N
MW375.36 g/mol
LogP5.24
Rot. Bonds4

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

6-fluoro-3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 14498174) has the molecular formula C22H14FNO4 and a molecular weight of 375.36 g/mol. Its IUPAC name is 6-fluoro-3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
PubChem CID14498174
Molecular FormulaC22H14FNO4
Molecular Weight375.36 g/mol
Exact Mass375.09
IUPAC Name6-fluoro-3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1c(O)c(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C22H14FNO4/c23-14-8-11-18-17(12-14)19(22(26)27)21(25)20(24-18)13-6-9-16(10-7-13)28-15-4-2-1-3-5-15/h1-12,25H,(H,26,27)
InChIKeyIPGIAYVDCHHTSP-UHFFFAOYSA-N
XLogP5.24
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.36
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-3-hydroxy-2-(4-phenoxyphenyl)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-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid (CID 14498174) is 6-fluoro-3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid is O=C(O)c1c(O)c(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is IPGIAYVDCHHTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FNO4/c23-14-8-11-18-17(12-14)19(22(26)27)21(25)20(24-18)13-6-9-16(10-7-13)28-15-4-2-1-3-5-15/h1-12,25H,(H,26,27).
What are the key properties of 6-fluoro-3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
6-fluoro-3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 375.36 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 14498174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).