2-methyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine

C20H19F3N2O3 — CID 155541385

IUPAC2-methyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
SMILESCOc1cc(Nc2cc(C)nc3ccc(C(F)(F)F)cc23)cc(OC)c1OC
InChIInChI=1S/C20H19F3N2O3/c1-11-7-16(14-8-12(20(21,22)23)5-6-15(14)24-11)25-13-9-17(26-2)19(28-4)18(10-13)27-3/h5-10H,1-4H3,(H,24,25)
InChIKeyJMDIQAYLFQAEEG-UHFFFAOYSA-N
MW392.38 g/mol
LogP5.33
Rot. Bonds5

About 2-methyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine

2-methyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine (PubChem CID 155541385) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
PubChem CID155541385
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name2-methyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
SMILESCOc1cc(Nc2cc(C)nc3ccc(C(F)(F)F)cc23)cc(OC)c1OC
InChIInChI=1S/C20H19F3N2O3/c1-11-7-16(14-8-12(20(21,22)23)5-6-15(14)24-11)25-13-9-17(26-2)19(28-4)18(10-13)27-3/h5-10H,1-4H3,(H,24,25)
InChIKeyJMDIQAYLFQAEEG-UHFFFAOYSA-N
XLogP5.33
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.38
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine
CID 23793112
N-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
CID 23477036
N-(4-bromophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
CID 23477012
N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798853
N-(3-chloro-4-methoxyphenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798244
2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane
CID 145015225
2-N-[4-(trifluoromethyl)phenyl]-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 117091406
6-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)quinolin-4-amine
CID 110435675
N-(3,4-dimethoxyphenyl)-7-methoxy-2-methylquinolin-4-amine
CID 110435623
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 110435673
1-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)thiourea
CID 17312818

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine (CID 155541385) is 2-methyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine is COc1cc(Nc2cc(C)nc3ccc(C(F)(F)F)cc23)cc(OC)c1OC.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
The InChIKey is JMDIQAYLFQAEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-11-7-16(14-8-12(20(21,22)23)5-6-15(14)24-11)25-13-9-17(26-2)19(28-4)18(10-13)27-3/h5-10H,1-4H3,(H,24,25).
What are the key properties of 2-methyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
2-methyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine has a molecular weight of 392.38 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 155541385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).