4-[[2-(4-fluoro-2-methylphenoxy)quinoline-3-carbonyl]amino]benzoic acid

C24H17FN2O4 — CID 78319623

IUPAC4-[[2-(4-fluoro-2-methylphenoxy)quinoline-3-carbonyl]amino]benzoic acid
SMILESCc1cc(F)ccc1Oc1nc2ccccc2cc1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C24H17FN2O4/c1-14-12-17(25)8-11-21(14)31-23-19(13-16-4-2-3-5-20(16)27-23)22(28)26-18-9-6-15(7-10-18)24(29)30/h2-13H,1H3,(H,26,28)(H,29,30)
InChIKeyFZZLYYKBRRIYDC-UHFFFAOYSA-N
MW416.41 g/mol
LogP5.43
Rot. Bonds5

About 4-[[2-(4-fluoro-2-methylphenoxy)quinoline-3-carbonyl]amino]benzoic acid

4-[[2-(4-fluoro-2-methylphenoxy)quinoline-3-carbonyl]amino]benzoic acid (PubChem CID 78319623) has the molecular formula C24H17FN2O4 and a molecular weight of 416.41 g/mol. Its IUPAC name is 4-[[2-(4-fluoro-2-methylphenoxy)quinoline-3-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(4-fluoro-2-methylphenoxy)quinoline-3-carbonyl]amino]benzoic acid
PubChem CID78319623
Molecular FormulaC24H17FN2O4
Molecular Weight416.41 g/mol
Exact Mass416.12
IUPAC Name4-[[2-(4-fluoro-2-methylphenoxy)quinoline-3-carbonyl]amino]benzoic acid
SMILESCc1cc(F)ccc1Oc1nc2ccccc2cc1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C24H17FN2O4/c1-14-12-17(25)8-11-21(14)31-23-19(13-16-4-2-3-5-20(16)27-23)22(28)26-18-9-6-15(7-10-18)24(29)30/h2-13H,1H3,(H,26,28)(H,29,30)
InChIKeyFZZLYYKBRRIYDC-UHFFFAOYSA-N
XLogP5.43
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.41
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(4-fluoro-2-methylphenoxy)quinoline-3-carbonyl]amino]benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

SR 2640
CID 128355
4-Amino-5-(3-(isopropylamino)-2,2-dimethyl-3-oxopropoxy)-2-methylquinoline-3-carboxylic acid
CID 66746559
N-(2,6-dimethylphenyl)-5-oxo-2-(trifluoromethyl)-5H-chromeno[2,3-b]pyridine-3-carboxamide
CID 2764671
6-Fluoro-3-methyl-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
CID 13960632
2-(5-fluoro-2-methylphenoxy)-1-phenyl-3-(piperazine-1-carbonyl)-1H-indole-6-carboxylic acid
CID 52941025
2-methoxy-4-[(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)amino]benzoic acid
CID 53494261
5-oxo-N-phenyl-2-(trifluoromethyl)-5H-chromeno[2,3-b]pyridine-3-carboxamide
CID 1485832
5-oxo-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5H-chromeno[2,3-b]pyridine-3-carboxamide
CID 2764674
N-(4-carbamoylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 2932435
4-({[2-(2-Ethoxyphenyl)quinolin-4-yl]carbonyl}amino)benzoic acid
CID 4570374
N-cyclohexyl-2-[(4-fluorophenyl)methoxy]quinoline-3-carboxamide
CID 60145373
2-(3,5-Dimethyl-4-phenoxyphenyl)-6-fluoroquinoline-4-carboxylic acid
CID 71816638

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluoro-2-methylphenoxy)quinoline-3-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(4-fluoro-2-methylphenoxy)quinoline-3-carbonyl]amino]benzoic acid (CID 78319623) is 4-[[2-(4-fluoro-2-methylphenoxy)quinoline-3-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(4-fluoro-2-methylphenoxy)quinoline-3-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(4-fluoro-2-methylphenoxy)quinoline-3-carbonyl]amino]benzoic acid is Cc1cc(F)ccc1Oc1nc2ccccc2cc1C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(4-fluoro-2-methylphenoxy)quinoline-3-carbonyl]amino]benzoic acid?
The InChIKey is FZZLYYKBRRIYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O4/c1-14-12-17(25)8-11-21(14)31-23-19(13-16-4-2-3-5-20(16)27-23)22(28)26-18-9-6-15(7-10-18)24(29)30/h2-13H,1H3,(H,26,28)(H,29,30).
What are the key properties of 4-[[2-(4-fluoro-2-methylphenoxy)quinoline-3-carbonyl]amino]benzoic acid?
4-[[2-(4-fluoro-2-methylphenoxy)quinoline-3-carbonyl]amino]benzoic acid has a molecular weight of 416.41 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluoro-2-methylphenoxy)quinoline-3-carbonyl]amino]benzoic acid is sourced from PubChem (CID 78319623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).