8-chloro-N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]quinolin-2-amine

C15H11ClF3N3 — CID 71143170

IUPAC8-chloro-N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]quinolin-2-amine
SMILESFC(F)(F)C1CC=CC(Nc2ccc3cccc(Cl)c3n2)=N1
InChIInChI=1S/C15H11ClF3N3/c16-10-4-1-3-9-7-8-13(22-14(9)10)21-12-6-2-5-11(20-12)15(17,18)19/h1-4,6-8,11H,5H2,(H,20,21,22)
InChIKeyWTERXOVTJFJYAK-UHFFFAOYSA-N
MW325.72 g/mol
LogP4.59
Rot. Bonds1

About 8-chloro-N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]quinolin-2-amine

8-chloro-N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]quinolin-2-amine (PubChem CID 71143170) has the molecular formula C15H11ClF3N3 and a molecular weight of 325.72 g/mol. Its IUPAC name is 8-chloro-N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]quinolin-2-amine.

Molecular Properties

Compound Name8-chloro-N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]quinolin-2-amine
PubChem CID71143170
Molecular FormulaC15H11ClF3N3
Molecular Weight325.72 g/mol
Exact Mass325.06
IUPAC Name8-chloro-N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]quinolin-2-amine
SMILESFC(F)(F)C1CC=CC(Nc2ccc3cccc(Cl)c3n2)=N1
InChIInChI=1S/C15H11ClF3N3/c16-10-4-1-3-9-7-8-13(22-14(9)10)21-12-6-2-5-11(20-12)15(17,18)19/h1-4,6-8,11H,5H2,(H,20,21,22)
InChIKeyWTERXOVTJFJYAK-UHFFFAOYSA-N
XLogP4.59
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]quinolin-2-amine?
The IUPAC name of 8-chloro-N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]quinolin-2-amine (CID 71143170) is 8-chloro-N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]quinolin-2-amine.
What is the SMILES notation for 8-chloro-N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]quinolin-2-amine?
The canonical SMILES for 8-chloro-N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]quinolin-2-amine is FC(F)(F)C1CC=CC(Nc2ccc3cccc(Cl)c3n2)=N1.
What is the InChIKey of 8-chloro-N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]quinolin-2-amine?
The InChIKey is WTERXOVTJFJYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3/c16-10-4-1-3-9-7-8-13(22-14(9)10)21-12-6-2-5-11(20-12)15(17,18)19/h1-4,6-8,11H,5H2,(H,20,21,22).
What are the key properties of 8-chloro-N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]quinolin-2-amine?
8-chloro-N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]quinolin-2-amine has a molecular weight of 325.72 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]quinolin-2-amine is sourced from PubChem (CID 71143170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).