5-chloro-6,8-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine

C13H12ClF3N2O2 — CID 62203071

IUPAC5-chloro-6,8-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCNc1cc(C(F)(F)F)nc2c(OC)cc(OC)c(Cl)c12
InChIInChI=1S/C13H12ClF3N2O2/c1-18-6-4-9(13(15,16)17)19-12-8(21-3)5-7(20-2)11(14)10(6)12/h4-5H,1-3H3,(H,18,19)
InChIKeyKLJSPXLWWWZZJT-UHFFFAOYSA-N
MW320.70 g/mol
LogP3.97
Rot. Bonds3

About 5-chloro-6,8-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine

5-chloro-6,8-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 62203071) has the molecular formula C13H12ClF3N2O2 and a molecular weight of 320.70 g/mol. Its IUPAC name is 5-chloro-6,8-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name5-chloro-6,8-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID62203071
Molecular FormulaC13H12ClF3N2O2
Molecular Weight320.70 g/mol
Exact Mass320.05
IUPAC Name5-chloro-6,8-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCNc1cc(C(F)(F)F)nc2c(OC)cc(OC)c(Cl)c12
InChIInChI=1S/C13H12ClF3N2O2/c1-18-6-4-9(13(15,16)17)19-12-8(21-3)5-7(20-2)11(14)10(6)12/h4-5H,1-3H3,(H,18,19)
InChIKeyKLJSPXLWWWZZJT-UHFFFAOYSA-N
XLogP3.97
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.70
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6,8-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 5-chloro-6,8-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine (CID 62203071) is 5-chloro-6,8-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 5-chloro-6,8-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 5-chloro-6,8-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine is CNc1cc(C(F)(F)F)nc2c(OC)cc(OC)c(Cl)c12.
What is the InChIKey of 5-chloro-6,8-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is KLJSPXLWWWZZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O2/c1-18-6-4-9(13(15,16)17)19-12-8(21-3)5-7(20-2)11(14)10(6)12/h4-5H,1-3H3,(H,18,19).
What are the key properties of 5-chloro-6,8-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
5-chloro-6,8-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 320.70 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6,8-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 62203071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).