N-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine

C13H11F5N2 — CID 63743908

IUPACN-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCNc1c(C)c(C(F)(F)F)nc2c(F)ccc(F)c12
InChIInChI=1S/C13H11F5N2/c1-3-19-10-6(2)12(13(16,17)18)20-11-8(15)5-4-7(14)9(10)11/h4-5H,3H2,1-2H3,(H,19,20)
InChIKeyLFVZOLGVUJIOPZ-UHFFFAOYSA-N
MW290.24 g/mol
LogP4.27
Rot. Bonds2

About N-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine

N-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 63743908) has the molecular formula C13H11F5N2 and a molecular weight of 290.24 g/mol. Its IUPAC name is N-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID63743908
Molecular FormulaC13H11F5N2
Molecular Weight290.24 g/mol
Exact Mass290.08
IUPAC NameN-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCNc1c(C)c(C(F)(F)F)nc2c(F)ccc(F)c12
InChIInChI=1S/C13H11F5N2/c1-3-19-10-6(2)12(13(16,17)18)20-11-8(15)5-4-7(14)9(10)11/h4-5H,3H2,1-2H3,(H,19,20)
InChIKeyLFVZOLGVUJIOPZ-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743910
[5-fluoro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 63744433
N-ethyl-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 55231276
7-fluoro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63744759
5-chloro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743734
8-fluoro-3,6-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743224
5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 102854998
N-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine
CID 62197895
8-chloro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63744425
N-ethyl-2,3,5,8-tetramethylquinolin-4-amine
CID 62202042
2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine
CID 63562434
6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63744755

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine (CID 63743908) is N-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine is CCNc1c(C)c(C(F)(F)F)nc2c(F)ccc(F)c12.
What is the InChIKey of N-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is LFVZOLGVUJIOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F5N2/c1-3-19-10-6(2)12(13(16,17)18)20-11-8(15)5-4-7(14)9(10)11/h4-5H,3H2,1-2H3,(H,19,20).
What are the key properties of N-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine?
N-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 290.24 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 63743908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).