7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine

C13H12ClF3N2 — CID 104722067

IUPAC7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCNc1c(C)c(C(F)(F)F)nc2cc(Cl)c(C)cc12
InChIInChI=1S/C13H12ClF3N2/c1-6-4-8-10(5-9(6)14)19-12(13(15,16)17)7(2)11(8)18-3/h4-5H,1-3H3,(H,18,19)
InChIKeyWXVBHTBSIYEKQV-UHFFFAOYSA-N
MW288.70 g/mol
LogP4.57
Rot. Bonds1

About 7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine

7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 104722067) has the molecular formula C13H12ClF3N2 and a molecular weight of 288.70 g/mol. Its IUPAC name is 7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID104722067
Molecular FormulaC13H12ClF3N2
Molecular Weight288.70 g/mol
Exact Mass288.06
IUPAC Name7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCNc1c(C)c(C(F)(F)F)nc2cc(Cl)c(C)cc12
InChIInChI=1S/C13H12ClF3N2/c1-6-4-8-10(5-9(6)14)19-12(13(15,16)17)7(2)11(8)18-3/h4-5H,1-3H3,(H,18,19)
InChIKeyWXVBHTBSIYEKQV-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine
CID 63744415
6-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743568
6-bromo-N,3,5,7-tetramethyl-2-(trifluoromethyl)quinolin-4-amine
CID 107578764
[6-bromo-7-fluoro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 103996968
6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63744755
7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine
CID 113445330
[6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 63744262
6-chloro-2-ethyl-7-fluoro-N,3-dimethylquinolin-4-amine
CID 113363430
7-chloro-N-ethyl-6-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 104722072
4,7-dichloro-2,3,6-trimethylquinoline
CID 104722009
5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743910
6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 81289179

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine (CID 104722067) is 7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine is CNc1c(C)c(C(F)(F)F)nc2cc(Cl)c(C)cc12.
What is the InChIKey of 7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is WXVBHTBSIYEKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2/c1-6-4-8-10(5-9(6)14)19-12(13(15,16)17)7(2)11(8)18-3/h4-5H,1-3H3,(H,18,19).
What are the key properties of 7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine?
7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 288.70 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 104722067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).