6-fluoro-2-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)quinoline-4-carboxylic acid

C26H22FNO3 — CID 71816353

IUPAC6-fluoro-2-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)quinoline-4-carboxylic acid
SMILESCc1cc(Oc2ccccc2)c(C(C)C)cc1-c1cc(C(=O)O)c2cc(F)ccc2n1
InChIInChI=1S/C26H22FNO3/c1-15(2)19-13-20(16(3)11-25(19)31-18-7-5-4-6-8-18)24-14-22(26(29)30)21-12-17(27)9-10-23(21)28-24/h4-15H,1-3H3,(H,29,30)
InChIKeyKOLKCHJGWGJCTG-UHFFFAOYSA-N
MW415.46 g/mol
LogP6.96
Rot. Bonds5

About 6-fluoro-2-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)quinoline-4-carboxylic acid

6-fluoro-2-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)quinoline-4-carboxylic acid (PubChem CID 71816353) has the molecular formula C26H22FNO3 and a molecular weight of 415.46 g/mol. Its IUPAC name is 6-fluoro-2-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)quinoline-4-carboxylic acid
PubChem CID71816353
Molecular FormulaC26H22FNO3
Molecular Weight415.46 g/mol
Exact Mass415.16
IUPAC Name6-fluoro-2-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)quinoline-4-carboxylic acid
SMILESCc1cc(Oc2ccccc2)c(C(C)C)cc1-c1cc(C(=O)O)c2cc(F)ccc2n1
InChIInChI=1S/C26H22FNO3/c1-15(2)19-13-20(16(3)11-25(19)31-18-7-5-4-6-8-18)24-14-22(26(29)30)21-12-17(27)9-10-23(21)28-24/h4-15H,1-3H3,(H,29,30)
InChIKeyKOLKCHJGWGJCTG-UHFFFAOYSA-N
XLogP6.96
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-2-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)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-2-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)quinoline-4-carboxylic acid (CID 71816353) is 6-fluoro-2-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)quinoline-4-carboxylic acid is Cc1cc(Oc2ccccc2)c(C(C)C)cc1-c1cc(C(=O)O)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)quinoline-4-carboxylic acid?
The InChIKey is KOLKCHJGWGJCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FNO3/c1-15(2)19-13-20(16(3)11-25(19)31-18-7-5-4-6-8-18)24-14-22(26(29)30)21-12-17(27)9-10-23(21)28-24/h4-15H,1-3H3,(H,29,30).
What are the key properties of 6-fluoro-2-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)quinoline-4-carboxylic acid?
6-fluoro-2-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)quinoline-4-carboxylic acid has a molecular weight of 415.46 g/mol, XLogP of 6.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 71816353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).