2,6-dimethoxy-4-methyl-5-[4-(trifluoromethyl)phenyl]quinolin-8-amine

C19H17F3N2O2 — CID 50992501

IUPAC2,6-dimethoxy-4-methyl-5-[4-(trifluoromethyl)phenyl]quinolin-8-amine
SMILESCOc1cc(C)c2c(-c3ccc(C(F)(F)F)cc3)c(OC)cc(N)c2n1
InChIInChI=1S/C19H17F3N2O2/c1-10-8-15(26-3)24-18-13(23)9-14(25-2)17(16(10)18)11-4-6-12(7-5-11)19(20,21)22/h4-9H,23H2,1-3H3
InChIKeyJJZHENLHTNNXSA-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.83
Rot. Bonds3

About 2,6-dimethoxy-4-methyl-5-[4-(trifluoromethyl)phenyl]quinolin-8-amine

2,6-dimethoxy-4-methyl-5-[4-(trifluoromethyl)phenyl]quinolin-8-amine (PubChem CID 50992501) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 2,6-dimethoxy-4-methyl-5-[4-(trifluoromethyl)phenyl]quinolin-8-amine.

Molecular Properties

Compound Name2,6-dimethoxy-4-methyl-5-[4-(trifluoromethyl)phenyl]quinolin-8-amine
PubChem CID50992501
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name2,6-dimethoxy-4-methyl-5-[4-(trifluoromethyl)phenyl]quinolin-8-amine
SMILESCOc1cc(C)c2c(-c3ccc(C(F)(F)F)cc3)c(OC)cc(N)c2n1
InChIInChI=1S/C19H17F3N2O2/c1-10-8-15(26-3)24-18-13(23)9-14(25-2)17(16(10)18)11-4-6-12(7-5-11)19(20,21)22/h4-9H,23H2,1-3H3
InChIKeyJJZHENLHTNNXSA-UHFFFAOYSA-N
XLogP4.83
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2,6-dimethoxy-4-methyl-5-[4-(trifluoromethyl)phenyl]quinolin-8-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-[2,6-dimethoxy-4-methyl-5-[4-(trifluoromethyl)phenyl]quinolin-8-yl]pentane-1,4-diamine
CID 50992802
2,6-dimethoxy-4-methyl-5-(3-methylphenyl)-8-nitroquinoline
CID 50993521
1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene
CID 134631184
2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 162537578
6-methoxy-4-methyl-8-nitro-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]quinoline
CID 50993596
5,6-dimethoxy-2,4-dimethylquinolin-8-amine
CID 612479
5,8-dimethoxy-4-methyl-2-(trifluoromethyl)quinolin-6-amine;hydrochloride
CID 54606634
2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 23005194
2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
CID 93206142
2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 11058632
5-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
CID 121380099
6,7-dimethoxy-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]quinazoline
CID 15891222

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-methyl-5-[4-(trifluoromethyl)phenyl]quinolin-8-amine?
The IUPAC name of 2,6-dimethoxy-4-methyl-5-[4-(trifluoromethyl)phenyl]quinolin-8-amine (CID 50992501) is 2,6-dimethoxy-4-methyl-5-[4-(trifluoromethyl)phenyl]quinolin-8-amine.
What is the SMILES notation for 2,6-dimethoxy-4-methyl-5-[4-(trifluoromethyl)phenyl]quinolin-8-amine?
The canonical SMILES for 2,6-dimethoxy-4-methyl-5-[4-(trifluoromethyl)phenyl]quinolin-8-amine is COc1cc(C)c2c(-c3ccc(C(F)(F)F)cc3)c(OC)cc(N)c2n1.
What is the InChIKey of 2,6-dimethoxy-4-methyl-5-[4-(trifluoromethyl)phenyl]quinolin-8-amine?
The InChIKey is JJZHENLHTNNXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-10-8-15(26-3)24-18-13(23)9-14(25-2)17(16(10)18)11-4-6-12(7-5-11)19(20,21)22/h4-9H,23H2,1-3H3.
What are the key properties of 2,6-dimethoxy-4-methyl-5-[4-(trifluoromethyl)phenyl]quinolin-8-amine?
2,6-dimethoxy-4-methyl-5-[4-(trifluoromethyl)phenyl]quinolin-8-amine has a molecular weight of 362.35 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-methyl-5-[4-(trifluoromethyl)phenyl]quinolin-8-amine is sourced from PubChem (CID 50992501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).