N-[4-chloro-3-(trifluoromethyl)phenyl]-6-phenoxyquinolin-2-amine

C22H14ClF3N2O — CID 154963371

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-6-phenoxyquinolin-2-amine
SMILESFC(F)(F)c1cc(Nc2ccc3cc(Oc4ccccc4)ccc3n2)ccc1Cl
InChIInChI=1S/C22H14ClF3N2O/c23-19-9-7-15(13-18(19)22(24,25)26)27-21-11-6-14-12-17(8-10-20(14)28-21)29-16-4-2-1-3-5-16/h1-13H,(H,27,28)
InChIKeyXHOPKUFXTULBET-UHFFFAOYSA-N
MW414.81 g/mol
LogP7.44
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-6-phenoxyquinolin-2-amine

N-[4-chloro-3-(trifluoromethyl)phenyl]-6-phenoxyquinolin-2-amine (PubChem CID 154963371) has the molecular formula C22H14ClF3N2O and a molecular weight of 414.81 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-phenoxyquinolin-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-phenoxyquinolin-2-amine
PubChem CID154963371
Molecular FormulaC22H14ClF3N2O
Molecular Weight414.81 g/mol
Exact Mass414.07
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-phenoxyquinolin-2-amine
SMILESFC(F)(F)c1cc(Nc2ccc3cc(Oc4ccccc4)ccc3n2)ccc1Cl
InChIInChI=1S/C22H14ClF3N2O/c23-19-9-7-15(13-18(19)22(24,25)26)27-21-11-6-14-12-17(8-10-20(14)28-21)29-16-4-2-1-3-5-16/h1-13H,(H,27,28)
InChIKeyXHOPKUFXTULBET-UHFFFAOYSA-N
XLogP7.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.81
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-6-phenoxyquinolin-2-amine 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

4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112926975
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904656
N-[4-(4-fluorophenoxy)phenyl]quinolin-2-amine
CID 146295745
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11476057
1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone
CID 118886684
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide
CID 16650954
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893647
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1H-benzimidazol-2-amine
CID 89375601
3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]benzoic acid
CID 56836646
2-[[4-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzonitrile
CID 112906595
[4-chloro-3-(trifluoromethyl)anilino] benzoate
CID 174783175
3-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 72714706

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-phenoxyquinolin-2-amine?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-phenoxyquinolin-2-amine (CID 154963371) is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-phenoxyquinolin-2-amine.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-phenoxyquinolin-2-amine?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-phenoxyquinolin-2-amine is FC(F)(F)c1cc(Nc2ccc3cc(Oc4ccccc4)ccc3n2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-phenoxyquinolin-2-amine?
The InChIKey is XHOPKUFXTULBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF3N2O/c23-19-9-7-15(13-18(19)22(24,25)26)27-21-11-6-14-12-17(8-10-20(14)28-21)29-16-4-2-1-3-5-16/h1-13H,(H,27,28).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-phenoxyquinolin-2-amine?
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-phenoxyquinolin-2-amine has a molecular weight of 414.81 g/mol, XLogP of 7.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-phenoxyquinolin-2-amine is sourced from PubChem (CID 154963371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).