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

C16H10ClF3N2 — CID 17016624

IUPAC6-chloro-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine
SMILESFC(F)(F)c1ccccc1Nc1ccnc2ccc(Cl)cc12
InChIInChI=1S/C16H10ClF3N2/c17-10-5-6-13-11(9-10)14(7-8-21-13)22-15-4-2-1-3-12(15)16(18,19)20/h1-9H,(H,21,22)
InChIKeyHAPIJSXUHRABCW-UHFFFAOYSA-N
MW322.72 g/mol
LogP5.65
Rot. Bonds2

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

6-chloro-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine (PubChem CID 17016624) has the molecular formula C16H10ClF3N2 and a molecular weight of 322.72 g/mol. Its IUPAC name is 6-chloro-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine
PubChem CID17016624
Molecular FormulaC16H10ClF3N2
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Name6-chloro-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine
SMILESFC(F)(F)c1ccccc1Nc1ccnc2ccc(Cl)cc12
InChIInChI=1S/C16H10ClF3N2/c17-10-5-6-13-11(9-10)14(7-8-21-13)22-15-4-2-1-3-12(15)16(18,19)20/h1-9H,(H,21,22)
InChIKeyHAPIJSXUHRABCW-UHFFFAOYSA-N
XLogP5.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.72
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-N-[2-(trifluoromethyl)phenyl]quinolin-4-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

6-chloro-N-methylquinolin-4-amine
CID 62192062
2,6-dichloro-N-quinolin-5-ylquinolin-4-amine
CID 138392376
2-N-(4-chlorophenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112903814
N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine
CID 63765703
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
2-N-(3-chlorophenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112903722
N-(6-chloroquinolin-4-yl)pyridine-2-carboxamide
CID 17016566
N-(2-ethylphenyl)-6-fluoroquinolin-4-amine
CID 39850754
2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate;2,3-dihydroxypropyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate
CID 174805868
4-N-(3-chloro-4-fluorophenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112904127
N-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine
CID 123150888
3-[[6-chloro-7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 66487385

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine?
The IUPAC name of 6-chloro-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine (CID 17016624) is 6-chloro-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine is FC(F)(F)c1ccccc1Nc1ccnc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine?
The InChIKey is HAPIJSXUHRABCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2/c17-10-5-6-13-11(9-10)14(7-8-21-13)22-15-4-2-1-3-12(15)16(18,19)20/h1-9H,(H,21,22).
What are the key properties of 6-chloro-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine?
6-chloro-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine has a molecular weight of 322.72 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine is sourced from PubChem (CID 17016624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).