2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid

C19H15F3N2O2 — CID 152740170

IUPAC2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
SMILESCCN(c1ccccc1C(=O)O)c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C19H15F3N2O2/c1-2-24(16-6-4-3-5-14(16)18(25)26)17-9-10-23-15-11-12(19(20,21)22)7-8-13(15)17/h3-11H,2H2,1H3,(H,25,26)
InChIKeyZZLJENWUQSJMCQ-UHFFFAOYSA-N
MW360.34 g/mol
LogP5.11
Rot. Bonds4

About 2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid

2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid (PubChem CID 152740170) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid.

Molecular Properties

Compound Name2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
PubChem CID152740170
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
SMILESCCN(c1ccccc1C(=O)O)c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C19H15F3N2O2/c1-2-24(16-6-4-3-5-14(16)18(25)26)17-9-10-23-15-11-12(19(20,21)22)7-8-13(15)17/h3-11H,2H2,1H3,(H,25,26)
InChIKeyZZLJENWUQSJMCQ-UHFFFAOYSA-N
XLogP5.11
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.34
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(7-chloroquinolin-4-yl)-(oxiran-2-ylmethyl)amino]benzoic acid
CID 88792313
pyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone
CID 125474108
N-ethyl-N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]-4-phenylbenzenesulfonamide
CID 123961261
7-(trifluoromethyl)quinoline-5-carboxylic acid
CID 617812
N-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133412324
N,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
CID 177412301
N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide
CID 133401846
1,1-difluoro-1-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpropan-2-one
CID 10758107
N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide
CID 86802912
N-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133433816
N,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
CID 177479384
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine
CID 133413138

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid?
The IUPAC name of 2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid (CID 152740170) is 2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid.
What is the SMILES notation for 2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid?
The canonical SMILES for 2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid is CCN(c1ccccc1C(=O)O)c1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of 2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid?
The InChIKey is ZZLJENWUQSJMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c1-2-24(16-6-4-3-5-14(16)18(25)26)17-9-10-23-15-11-12(19(20,21)22)7-8-13(15)17/h3-11H,2H2,1H3,(H,25,26).
What are the key properties of 2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid?
2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid has a molecular weight of 360.34 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid is sourced from PubChem (CID 152740170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).