N-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide

C21H19F3N2O3 — CID 56585798

IUPACN-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)NCCCOc1cccc2cccnc12
InChIInChI=1S/C21H19F3N2O3/c22-21(23,24)16-7-9-17(10-8-16)29-14-19(27)25-12-3-13-28-18-6-1-4-15-5-2-11-26-20(15)18/h1-2,4-11H,3,12-14H2,(H,25,27)
InChIKeyVSOPLSWFOCFGCA-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.22
Rot. Bonds8

About N-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide

N-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 56585798) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID56585798
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC NameN-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)NCCCOc1cccc2cccnc12
InChIInChI=1S/C21H19F3N2O3/c22-21(23,24)16-7-9-17(10-8-16)29-14-19(27)25-12-3-13-28-18-6-1-4-15-5-2-11-26-20(15)18/h1-2,4-11H,3,12-14H2,(H,25,27)
InChIKeyVSOPLSWFOCFGCA-UHFFFAOYSA-N
XLogP4.22
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.22
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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Related Compounds

2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56535216
N-(3-quinolin-8-yloxypropyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 56534857
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
2-(4-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149228
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56535280
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
N-(2,2-dimethylpropyl)-2-quinolin-8-yloxyacetamide
CID 99820790
N-[2-(4-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide
CID 2594639
4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide
CID 56585451
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510041

Frequently Asked Questions

What is the IUPAC name of N-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 56585798) is N-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide is O=C(COc1ccc(C(F)(F)F)cc1)NCCCOc1cccc2cccnc12.
What is the InChIKey of N-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is VSOPLSWFOCFGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c22-21(23,24)16-7-9-17(10-8-16)29-14-19(27)25-12-3-13-28-18-6-1-4-15-5-2-11-26-20(15)18/h1-2,4-11H,3,12-14H2,(H,25,27).
What are the key properties of N-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 404.39 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 56585798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).