N-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide

C22H22FN3O2 — CID 18570656

IUPACN-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
SMILESO=C(COc1cccc2ccc(N3CCCC3)nc12)NCc1ccc(F)cc1
InChIInChI=1S/C22H22FN3O2/c23-18-9-6-16(7-10-18)14-24-21(27)15-28-19-5-3-4-17-8-11-20(25-22(17)19)26-12-1-2-13-26/h3-11H,1-2,12-15H2,(H,24,27)
InChIKeyFNZXHHUFTLRAGO-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.67
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide

N-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide (PubChem CID 18570656) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
PubChem CID18570656
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
SMILESO=C(COc1cccc2ccc(N3CCCC3)nc12)NCc1ccc(F)cc1
InChIInChI=1S/C22H22FN3O2/c23-18-9-6-16(7-10-18)14-24-21(27)15-28-19-5-3-4-17-8-11-20(25-22(17)19)26-12-1-2-13-26/h3-11H,1-2,12-15H2,(H,24,27)
InChIKeyFNZXHHUFTLRAGO-UHFFFAOYSA-N
XLogP3.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
CID 162650633
N-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
CID 162652375
N-(4-ethylphenyl)-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
CID 18570644
N-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide
CID 16812643
N-(4-acetamidophenyl)-2-(2-piperidin-1-ylquinolin-8-yl)oxyacetamide
CID 16826739
2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 27555622
N-(4-acetylphenyl)-2-(2-piperidin-1-ylquinolin-8-yl)oxyacetamide
CID 20933073
2-(4-fluorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 50945079
N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763182
N-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide
CID 16812630
2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 2631895
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide (CID 18570656) is N-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide is O=C(COc1cccc2ccc(N3CCCC3)nc12)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide?
The InChIKey is FNZXHHUFTLRAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-18-9-6-16(7-10-18)14-24-21(27)15-28-19-5-3-4-17-8-11-20(25-22(17)19)26-12-1-2-13-26/h3-11H,1-2,12-15H2,(H,24,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide?
N-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide has a molecular weight of 379.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 18570656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).