5,8-dichloro-N,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine

C12H9Cl2F3N2 — CID 104728198

IUPAC5,8-dichloro-N,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCNc1cc(C(F)(F)F)nc2c(Cl)cc(C)c(Cl)c12
InChIInChI=1S/C12H9Cl2F3N2/c1-5-3-6(13)11-9(10(5)14)7(18-2)4-8(19-11)12(15,16)17/h3-4H,1-2H3,(H,18,19)
InChIKeyADQGLMPRFQVCOW-UHFFFAOYSA-N
MW309.12 g/mol
LogP4.91
Rot. Bonds1

About 5,8-dichloro-N,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine

5,8-dichloro-N,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 104728198) has the molecular formula C12H9Cl2F3N2 and a molecular weight of 309.12 g/mol. Its IUPAC name is 5,8-dichloro-N,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name5,8-dichloro-N,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID104728198
Molecular FormulaC12H9Cl2F3N2
Molecular Weight309.12 g/mol
Exact Mass308.01
IUPAC Name5,8-dichloro-N,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCNc1cc(C(F)(F)F)nc2c(Cl)cc(C)c(Cl)c12
InChIInChI=1S/C12H9Cl2F3N2/c1-5-3-6(13)11-9(10(5)14)7(18-2)4-8(19-11)12(15,16)17/h3-4H,1-2H3,(H,18,19)
InChIKeyADQGLMPRFQVCOW-UHFFFAOYSA-N
XLogP4.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,8-dichloro-6-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 104728229
5,8-dichloro-6-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 113445976
5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 62810601
4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline
CID 43668724
4-chloro-5,6,8-trifluoro-2-(trifluoromethyl)quinoline
CID 62811306
8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline
CID 82766340
2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine
CID 63480563
8-iodo-N-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 62203049
4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline
CID 43668583
6-bromo-8-chloro-N-ethyl-2-(trifluoromethyl)quinolin-4-amine
CID 63479069
7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 55197100
[5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 62250423

Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-N,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 5,8-dichloro-N,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine (CID 104728198) is 5,8-dichloro-N,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 5,8-dichloro-N,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 5,8-dichloro-N,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine is CNc1cc(C(F)(F)F)nc2c(Cl)cc(C)c(Cl)c12.
What is the InChIKey of 5,8-dichloro-N,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is ADQGLMPRFQVCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F3N2/c1-5-3-6(13)11-9(10(5)14)7(18-2)4-8(19-11)12(15,16)17/h3-4H,1-2H3,(H,18,19).
What are the key properties of 5,8-dichloro-N,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
5,8-dichloro-N,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 309.12 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-N,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 104728198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).