2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid

C24H15F3N2O3 — CID 22620109

IUPAC2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid
SMILESO=C(Nc1nc2ccccc2cc1C(=O)O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H15F3N2O3/c25-24(26,27)16-11-9-14(10-12-16)17-6-2-3-7-18(17)22(30)29-21-19(23(31)32)13-15-5-1-4-8-20(15)28-21/h1-13H,(H,31,32)(H,28,29,30)
InChIKeyWWLRDWPRKSDPBG-UHFFFAOYSA-N
MW436.39 g/mol
LogP5.87
Rot. Bonds4

About 2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid

2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid (PubChem CID 22620109) has the molecular formula C24H15F3N2O3 and a molecular weight of 436.39 g/mol. Its IUPAC name is 2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid
PubChem CID22620109
Molecular FormulaC24H15F3N2O3
Molecular Weight436.39 g/mol
Exact Mass436.10
IUPAC Name2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid
SMILESO=C(Nc1nc2ccccc2cc1C(=O)O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H15F3N2O3/c25-24(26,27)16-11-9-14(10-12-16)17-6-2-3-7-18(17)22(30)29-21-19(23(31)32)13-15-5-1-4-8-20(15)28-21/h1-13H,(H,31,32)(H,28,29,30)
InChIKeyWWLRDWPRKSDPBG-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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Related Compounds

(5-Oxo-5,6-dihydroindolo(1,2-a)quinazolin-7-yl)acetic acid
CID 447682
4-[(4-Phenylquinazolin-2-yl)amino]benzoic acid
CID 776448
6-Anilinophenanthridine-3-carboxylic acid
CID 50942726
2-(5,6,7,8-Tetrahydroquinolin-2-ylcarbamoyl)-5-(trifluoromethyl)benzoic acid
CID 72947894
4-Quinolinecarboxylic acid, 2-(phenylamino)-
CID 3075053
2-Aminoquinoline-3-carboxylic acid
CID 283476
4-[(2-Phenylquinazolin-4-yl)amino]benzoic acid
CID 715632
2-(1-(Quinolin-2-yl)piperazine-4-carboxamido)benzoic acid
CID 16048998
2-(5,6,7,8-Tetrahydroquinolin-2-ylcarbamoyl)-4,5-bis(trifluoromethyl)benzoic acid
CID 76901234
4-Quinolinecarboxylic acid, 2-((2-methylphenyl)amino)-
CID 3075054
4-Quinolinecarboxylic acid, 2-[(4-methylphenyl)amino]-
CID 3075056
2-(Pyrrolidin-1-yl)quinoline-3-carboxylic acid
CID 17804305

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid?
The IUPAC name of 2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid (CID 22620109) is 2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid?
The canonical SMILES for 2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid is O=C(Nc1nc2ccccc2cc1C(=O)O)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid?
The InChIKey is WWLRDWPRKSDPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N2O3/c25-24(26,27)16-11-9-14(10-12-16)17-6-2-3-7-18(17)22(30)29-21-19(23(31)32)13-15-5-1-4-8-20(15)28-21/h1-13H,(H,31,32)(H,28,29,30).
What are the key properties of 2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid?
2-[[2-[4-(trifluoromethyl)phenyl]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 2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 22620109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).