7-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxylic acid

C24H15F3N2O3 — CID 18433448

IUPAC7-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccccc3)ccc2c1
InChIInChI=1S/C24H15F3N2O3/c25-24(26,27)17-7-9-19(14-4-2-1-3-5-14)20(11-17)22(30)29-18-8-6-15-10-16(23(31)32)13-28-21(15)12-18/h1-13H,(H,29,30)(H,31,32)
InChIKeySOOFPHMJJZXXID-UHFFFAOYSA-N
MW436.39 g/mol
LogP5.87
Rot. Bonds4

About 7-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxylic acid

7-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxylic acid (PubChem CID 18433448) has the molecular formula C24H15F3N2O3 and a molecular weight of 436.39 g/mol. Its IUPAC name is 7-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxylic acid
PubChem CID18433448
Molecular FormulaC24H15F3N2O3
Molecular Weight436.39 g/mol
Exact Mass436.10
IUPAC Name7-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccccc3)ccc2c1
InChIInChI=1S/C24H15F3N2O3/c25-24(26,27)17-7-9-19(14-4-2-1-3-5-14)20(11-17)22(30)29-18-8-6-15-10-16(23(31)32)13-28-21(15)12-18/h1-13H,(H,29,30)(H,31,32)
InChIKeySOOFPHMJJZXXID-UHFFFAOYSA-N
XLogP5.87
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.39
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxylic acid?
The IUPAC name of 7-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxylic acid (CID 18433448) is 7-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 7-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxylic acid?
The canonical SMILES for 7-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxylic acid is O=C(O)c1cnc2cc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccccc3)ccc2c1.
What is the InChIKey of 7-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxylic acid?
The InChIKey is SOOFPHMJJZXXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N2O3/c25-24(26,27)17-7-9-19(14-4-2-1-3-5-14)20(11-17)22(30)29-18-8-6-15-10-16(23(31)32)13-28-21(15)12-18/h1-13H,(H,29,30)(H,31,32).
What are the key properties of 7-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxylic acid?
7-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxylic acid has a molecular weight of 436.39 g/mol, XLogP of 5.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 18433448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).