5-methoxy-2,4-dimethyl-8-[3-(trifluoromethyl)phenoxy]quinolin-6-amine

C19H17F3N2O2 — CID 6732881

IUPAC5-methoxy-2,4-dimethyl-8-[3-(trifluoromethyl)phenoxy]quinolin-6-amine
SMILESCOc1c(N)cc(Oc2cccc(C(F)(F)F)c2)c2nc(C)cc(C)c12
InChIInChI=1S/C19H17F3N2O2/c1-10-7-11(2)24-17-15(9-14(23)18(25-3)16(10)17)26-13-6-4-5-12(8-13)19(20,21)22/h4-9H,23H2,1-3H3
InChIKeyYYCOHZGORSJICJ-UHFFFAOYSA-N
MW362.35 g/mol
LogP5.25
Rot. Bonds3

About 5-methoxy-2,4-dimethyl-8-[3-(trifluoromethyl)phenoxy]quinolin-6-amine

5-methoxy-2,4-dimethyl-8-[3-(trifluoromethyl)phenoxy]quinolin-6-amine (PubChem CID 6732881) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 5-methoxy-2,4-dimethyl-8-[3-(trifluoromethyl)phenoxy]quinolin-6-amine.

Molecular Properties

Compound Name5-methoxy-2,4-dimethyl-8-[3-(trifluoromethyl)phenoxy]quinolin-6-amine
PubChem CID6732881
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name5-methoxy-2,4-dimethyl-8-[3-(trifluoromethyl)phenoxy]quinolin-6-amine
SMILESCOc1c(N)cc(Oc2cccc(C(F)(F)F)c2)c2nc(C)cc(C)c12
InChIInChI=1S/C19H17F3N2O2/c1-10-7-11(2)24-17-15(9-14(23)18(25-3)16(10)17)26-13-6-4-5-12(8-13)19(20,21)22/h4-9H,23H2,1-3H3
InChIKeyYYCOHZGORSJICJ-UHFFFAOYSA-N
XLogP5.25
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.35
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,4-dimethyl-8-[3-(trifluoromethyl)phenoxy]quinolin-6-amine?
The IUPAC name of 5-methoxy-2,4-dimethyl-8-[3-(trifluoromethyl)phenoxy]quinolin-6-amine (CID 6732881) is 5-methoxy-2,4-dimethyl-8-[3-(trifluoromethyl)phenoxy]quinolin-6-amine.
What is the SMILES notation for 5-methoxy-2,4-dimethyl-8-[3-(trifluoromethyl)phenoxy]quinolin-6-amine?
The canonical SMILES for 5-methoxy-2,4-dimethyl-8-[3-(trifluoromethyl)phenoxy]quinolin-6-amine is COc1c(N)cc(Oc2cccc(C(F)(F)F)c2)c2nc(C)cc(C)c12.
What is the InChIKey of 5-methoxy-2,4-dimethyl-8-[3-(trifluoromethyl)phenoxy]quinolin-6-amine?
The InChIKey is YYCOHZGORSJICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-10-7-11(2)24-17-15(9-14(23)18(25-3)16(10)17)26-13-6-4-5-12(8-13)19(20,21)22/h4-9H,23H2,1-3H3.
What are the key properties of 5-methoxy-2,4-dimethyl-8-[3-(trifluoromethyl)phenoxy]quinolin-6-amine?
5-methoxy-2,4-dimethyl-8-[3-(trifluoromethyl)phenoxy]quinolin-6-amine has a molecular weight of 362.35 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,4-dimethyl-8-[3-(trifluoromethyl)phenoxy]quinolin-6-amine is sourced from PubChem (CID 6732881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).