2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid

C17H11F3N2O2 — CID 174186287

IUPAC2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2ccc(Nc3cccc(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)12-2-1-3-13(9-12)21-15-7-6-10-4-5-11(16(23)24)8-14(10)22-15/h1-9H,(H,21,22)(H,23,24)
InChIKeyNASPNAZGLVNFOZ-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.70
Rot. Bonds3

About 2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid

2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid (PubChem CID 174186287) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid
PubChem CID174186287
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC Name2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2ccc(Nc3cccc(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)12-2-1-3-13(9-12)21-15-7-6-10-4-5-11(16(23)24)8-14(10)22-15/h1-9H,(H,21,22)(H,23,24)
InChIKeyNASPNAZGLVNFOZ-UHFFFAOYSA-N
XLogP4.70
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 43343615
4-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 113192978
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862
2-[3-(trifluoromethyl)anilino]quinoline-4-carboxylate
CID 3503074
6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine
CID 79823431
4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
CID 113048972
3-[[2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 113193482
3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzamide
CID 68969983
1-[3-[[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112905528
2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide
CID 110178309
ethane;3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzoic acid
CID 156795689
N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162234

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid?
The IUPAC name of 2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid (CID 174186287) is 2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid.
What is the SMILES notation for 2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid?
The canonical SMILES for 2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid is O=C(O)c1ccc2ccc(Nc3cccc(C(F)(F)F)c3)nc2c1.
What is the InChIKey of 2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid?
The InChIKey is NASPNAZGLVNFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c18-17(19,20)12-2-1-3-13(9-12)21-15-7-6-10-4-5-11(16(23)24)8-14(10)22-15/h1-9H,(H,21,22)(H,23,24).
What are the key properties of 2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid?
2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid has a molecular weight of 332.28 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid is sourced from PubChem (CID 174186287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).