7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine

C13H12ClF3N2 — CID 55197100

IUPAC7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCNc1cc(C(F)(F)F)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C13H12ClF3N2/c1-3-18-10-6-11(13(15,16)17)19-12-7(2)9(14)5-4-8(10)12/h4-6H,3H2,1-2H3,(H,18,19)
InChIKeyLRUXNTXPYUIEMM-UHFFFAOYSA-N
MW288.70 g/mol
LogP4.65
Rot. Bonds2

About 7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine

7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 55197100) has the molecular formula C13H12ClF3N2 and a molecular weight of 288.70 g/mol. Its IUPAC name is 7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID55197100
Molecular FormulaC13H12ClF3N2
Molecular Weight288.70 g/mol
Exact Mass288.06
IUPAC Name7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCNc1cc(C(F)(F)F)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C13H12ClF3N2/c1-3-18-10-6-11(13(15,16)17)19-12-7(2)9(14)5-4-8(10)12/h4-6H,3H2,1-2H3,(H,18,19)
InChIKeyLRUXNTXPYUIEMM-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-8-chloro-N-ethyl-2-(trifluoromethyl)quinolin-4-amine
CID 63479069
7-chloro-N-ethyl-8-methyl-2-phenylquinolin-4-amine
CID 63479901
7-chloro-N-ethyl-6-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 104722072
7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
CID 107628611
8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 82758076
2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine
CID 107628716
[7-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 62250575
2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine
CID 63479601
[7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 107629093
7-chloro-N,3-diethyl-2,8-dimethylquinolin-4-amine
CID 63480239
5,8-dichloro-6-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 104728229
8-iodo-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 55194221

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine (CID 55197100) is 7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine is CCNc1cc(C(F)(F)F)nc2c(C)c(Cl)ccc12.
What is the InChIKey of 7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is LRUXNTXPYUIEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2/c1-3-18-10-6-11(13(15,16)17)19-12-7(2)9(14)5-4-8(10)12/h4-6H,3H2,1-2H3,(H,18,19).
What are the key properties of 7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine?
7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 288.70 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 55197100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).