2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide

C22H20F3N3O2 — CID 27555622

IUPAC2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1cccc2ccc(N3CCCC3)nc12)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)16-7-9-17(10-8-16)26-20(29)14-30-18-5-3-4-15-6-11-19(27-21(15)18)28-12-1-2-13-28/h3-11H,1-2,12-14H2,(H,26,29)
InChIKeyXZJJFQQYIQTDFG-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.87
Rot. Bonds5

About 2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide

2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 27555622) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID27555622
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1cccc2ccc(N3CCCC3)nc12)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)16-7-9-17(10-8-16)26-20(29)14-30-18-5-3-4-15-6-11-19(27-21(15)18)28-12-1-2-13-28/h3-11H,1-2,12-14H2,(H,26,29)
InChIKeyXZJJFQQYIQTDFG-UHFFFAOYSA-N
XLogP4.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(2-piperidin-1-ylquinolin-8-yl)oxyacetamide
CID 16826739
N-(4-ethylphenyl)-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
CID 18570644
N-(4-acetylphenyl)-2-(2-piperidin-1-ylquinolin-8-yl)oxyacetamide
CID 20933073
2-(2-morpholin-4-ylquinolin-8-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16896792
1-[8-[2-(4-chloroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide
CID 20933082
N-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
CID 18570656
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide
CID 2461519
N-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
CID 162650633
N-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide
CID 27476098
2-piperidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline
CID 16812558
N-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide
CID 16812630
N-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
CID 162652375

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide (CID 27555622) is 2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(COc1cccc2ccc(N3CCCC3)nc12)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XZJJFQQYIQTDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c23-22(24,25)16-7-9-17(10-8-16)26-20(29)14-30-18-5-3-4-15-6-11-19(27-21(15)18)28-12-1-2-13-28/h3-11H,1-2,12-14H2,(H,26,29).
What are the key properties of 2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 415.42 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 27555622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).