6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine

C13H13F3N2O2 — CID 62203940

IUPAC6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCNc1cc(C(F)(F)F)nc2cc(OC)c(OC)cc12
InChIInChI=1S/C13H13F3N2O2/c1-17-8-6-12(13(14,15)16)18-9-5-11(20-3)10(19-2)4-7(8)9/h4-6H,1-3H3,(H,17,18)
InChIKeyIAWQIAJQBXRTSG-UHFFFAOYSA-N
MW286.25 g/mol
LogP3.31
Rot. Bonds3

About 6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine

6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 62203940) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID62203940
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCNc1cc(C(F)(F)F)nc2cc(OC)c(OC)cc12
InChIInChI=1S/C13H13F3N2O2/c1-17-8-6-12(13(14,15)16)18-9-5-11(20-3)10(19-2)4-7(8)9/h4-6H,1-3H3,(H,17,18)
InChIKeyIAWQIAJQBXRTSG-UHFFFAOYSA-N
XLogP3.31
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine (CID 62203940) is 6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine is CNc1cc(C(F)(F)F)nc2cc(OC)c(OC)cc12.
What is the InChIKey of 6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is IAWQIAJQBXRTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-17-8-6-12(13(14,15)16)18-9-5-11(20-3)10(19-2)4-7(8)9/h4-6H,1-3H3,(H,17,18).
What are the key properties of 6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 286.25 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 62203940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).