N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)quinolin-4-amine

C17H20F3N3O — CID 46933780

IUPACN-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1ccc2c(NCCCN3CCOCC3)ccnc2c1
InChIInChI=1S/C17H20F3N3O/c18-17(19,20)13-2-3-14-15(4-6-22-16(14)12-13)21-5-1-7-23-8-10-24-11-9-23/h2-4,6,12H,1,5,7-11H2,(H,21,22)
InChIKeyOLMGIADJIUAXKL-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.39
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)quinolin-4-amine

N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 46933780) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)quinolin-4-amine
PubChem CID46933780
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC NameN-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1ccc2c(NCCCN3CCOCC3)ccnc2c1
InChIInChI=1S/C17H20F3N3O/c18-17(19,20)13-2-3-14-15(4-6-22-16(14)12-13)21-5-1-7-23-8-10-24-11-9-23/h2-4,6,12H,1,5,7-11H2,(H,21,22)
InChIKeyOLMGIADJIUAXKL-UHFFFAOYSA-N
XLogP3.39
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)quinolin-4-amine (CID 46933780) is N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)quinolin-4-amine is FC(F)(F)c1ccc2c(NCCCN3CCOCC3)ccnc2c1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is OLMGIADJIUAXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c18-17(19,20)13-2-3-14-15(4-6-22-16(14)12-13)21-5-1-7-23-8-10-24-11-9-23/h2-4,6,12H,1,5,7-11H2,(H,21,22).
What are the key properties of N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)quinolin-4-amine?
N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 339.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 46933780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).