3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline

C16H11F3N2O — CID 54773336

IUPAC3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline
SMILESNc1cccc(Oc2ccnc3ccc(C(F)(F)F)cc23)c1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)10-4-5-14-13(8-10)15(6-7-21-14)22-12-3-1-2-11(20)9-12/h1-9H,20H2
InChIKeyBHEPZVVMEBCHEA-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.63
Rot. Bonds2

About 3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline

3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline (PubChem CID 54773336) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline.

Molecular Properties

Compound Name3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline
PubChem CID54773336
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline
SMILESNc1cccc(Oc2ccnc3ccc(C(F)(F)F)cc23)c1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)10-4-5-14-13(8-10)15(6-7-21-14)22-12-3-1-2-11(20)9-12/h1-9H,20H2
InChIKeyBHEPZVVMEBCHEA-UHFFFAOYSA-N
XLogP4.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline 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

3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline
CID 54773198
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 13490922
4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine
CID 71678550
3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline
CID 66887751
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096
4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 151866789
5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
4-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine
CID 86692246
4-(3-aminophenoxy)-N-methyl-1,7-naphthyridin-8-amine
CID 141279533
3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
(1S)-5-[7-(trifluoromethyl)quinolin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol
CID 71097597
2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide
CID 53329942

Frequently Asked Questions

What is the IUPAC name of 3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline?
The IUPAC name of 3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline (CID 54773336) is 3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline.
What is the SMILES notation for 3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline?
The canonical SMILES for 3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline is Nc1cccc(Oc2ccnc3ccc(C(F)(F)F)cc23)c1.
What is the InChIKey of 3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline?
The InChIKey is BHEPZVVMEBCHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)10-4-5-14-13(8-10)15(6-7-21-14)22-12-3-1-2-11(20)9-12/h1-9H,20H2.
What are the key properties of 3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline?
3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline has a molecular weight of 304.27 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline is sourced from PubChem (CID 54773336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).