7-methoxy-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine

C13H13F3N2O2 — CID 62193146

IUPAC7-methoxy-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine
SMILESCOc1ccc2cc(COCC(F)(F)F)c(N)nc2c1
InChIInChI=1S/C13H13F3N2O2/c1-19-10-3-2-8-4-9(6-20-7-13(14,15)16)12(17)18-11(8)5-10/h2-5H,6-7H2,1H3,(H2,17,18)
InChIKeyFTYDCCMVFFMWML-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.90
Rot. Bonds4

About 7-methoxy-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine

7-methoxy-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine (PubChem CID 62193146) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 7-methoxy-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine.

Molecular Properties

Compound Name7-methoxy-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine
PubChem CID62193146
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name7-methoxy-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine
SMILESCOc1ccc2cc(COCC(F)(F)F)c(N)nc2c1
InChIInChI=1S/C13H13F3N2O2/c1-19-10-3-2-8-4-9(6-20-7-13(14,15)16)12(17)18-11(8)5-10/h2-5H,6-7H2,1H3,(H2,17,18)
InChIKeyFTYDCCMVFFMWML-UHFFFAOYSA-N
XLogP2.90
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine?
The IUPAC name of 7-methoxy-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine (CID 62193146) is 7-methoxy-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine.
What is the SMILES notation for 7-methoxy-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine?
The canonical SMILES for 7-methoxy-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine is COc1ccc2cc(COCC(F)(F)F)c(N)nc2c1.
What is the InChIKey of 7-methoxy-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine?
The InChIKey is FTYDCCMVFFMWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-19-10-3-2-8-4-9(6-20-7-13(14,15)16)12(17)18-11(8)5-10/h2-5H,6-7H2,1H3,(H2,17,18).
What are the key properties of 7-methoxy-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine?
7-methoxy-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine has a molecular weight of 286.25 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine is sourced from PubChem (CID 62193146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).