2-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinolin-3-amine

C16H12F3N3O — CID 67402088

IUPAC2-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinolin-3-amine
SMILESNc1cc2ccccc2nc1OC(c1cccnc1)C(F)(F)F
InChIInChI=1S/C16H12F3N3O/c17-16(18,19)14(11-5-3-7-21-9-11)23-15-12(20)8-10-4-1-2-6-13(10)22-15/h1-9,14H,20H2
InChIKeyHRMDLSZPEYVDRR-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.89
Rot. Bonds3

About 2-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinolin-3-amine

2-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinolin-3-amine (PubChem CID 67402088) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is 2-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinolin-3-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinolin-3-amine
PubChem CID67402088
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name2-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinolin-3-amine
SMILESNc1cc2ccccc2nc1OC(c1cccnc1)C(F)(F)F
InChIInChI=1S/C16H12F3N3O/c17-16(18,19)14(11-5-3-7-21-9-11)23-15-12(20)8-10-4-1-2-6-13(10)22-15/h1-9,14H,20H2
InChIKeyHRMDLSZPEYVDRR-UHFFFAOYSA-N
XLogP3.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinolin-3-amine?
The IUPAC name of 2-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinolin-3-amine (CID 67402088) is 2-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinolin-3-amine.
What is the SMILES notation for 2-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinolin-3-amine?
The canonical SMILES for 2-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinolin-3-amine is Nc1cc2ccccc2nc1OC(c1cccnc1)C(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinolin-3-amine?
The InChIKey is HRMDLSZPEYVDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c17-16(18,19)14(11-5-3-7-21-9-11)23-15-12(20)8-10-4-1-2-6-13(10)22-15/h1-9,14H,20H2.
What are the key properties of 2-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinolin-3-amine?
2-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinolin-3-amine has a molecular weight of 319.29 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinolin-3-amine is sourced from PubChem (CID 67402088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).