N-(3,5-dimethoxyphenyl)-2-(6-fluoro-2-phenylquinolin-4-yl)oxyacetamide

C25H21FN2O4 — CID 46298806

IUPACN-(3,5-dimethoxyphenyl)-2-(6-fluoro-2-phenylquinolin-4-yl)oxyacetamide
SMILESCOc1cc(NC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc23)cc(OC)c1
InChIInChI=1S/C25H21FN2O4/c1-30-19-11-18(12-20(13-19)31-2)27-25(29)15-32-24-14-23(16-6-4-3-5-7-16)28-22-9-8-17(26)10-21(22)24/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyOPWQLCZDDDFRPH-UHFFFAOYSA-N
MW432.45 g/mol
LogP5.08
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-(6-fluoro-2-phenylquinolin-4-yl)oxyacetamide

N-(3,5-dimethoxyphenyl)-2-(6-fluoro-2-phenylquinolin-4-yl)oxyacetamide (PubChem CID 46298806) has the molecular formula C25H21FN2O4 and a molecular weight of 432.45 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(6-fluoro-2-phenylquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(6-fluoro-2-phenylquinolin-4-yl)oxyacetamide
PubChem CID46298806
Molecular FormulaC25H21FN2O4
Molecular Weight432.45 g/mol
Exact Mass432.15
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(6-fluoro-2-phenylquinolin-4-yl)oxyacetamide
SMILESCOc1cc(NC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc23)cc(OC)c1
InChIInChI=1S/C25H21FN2O4/c1-30-19-11-18(12-20(13-19)31-2)27-25(29)15-32-24-14-23(16-6-4-3-5-7-16)28-22-9-8-17(26)10-21(22)24/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyOPWQLCZDDDFRPH-UHFFFAOYSA-N
XLogP5.08
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide
CID 46298801
N-(4-fluorophenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298901
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298915
N-phenyl-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298665
methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate
CID 53113052
N-(4-bromophenyl)-2-[2-(4-methoxyphenyl)quinolin-4-yl]oxyacetamide
CID 46298628
2-[2-(4-methoxyphenyl)quinolin-4-yl]oxy-N-(3-methylsulfanylphenyl)acetamide
CID 46298622
methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53112999
N-(2,5-dimethoxyphenyl)-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298695
methyl 6-chloro-4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113162
N-(3,5-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 16545555
1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea
CID 46385044

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(6-fluoro-2-phenylquinolin-4-yl)oxyacetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(6-fluoro-2-phenylquinolin-4-yl)oxyacetamide (CID 46298806) is N-(3,5-dimethoxyphenyl)-2-(6-fluoro-2-phenylquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(6-fluoro-2-phenylquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(6-fluoro-2-phenylquinolin-4-yl)oxyacetamide is COc1cc(NC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(6-fluoro-2-phenylquinolin-4-yl)oxyacetamide?
The InChIKey is OPWQLCZDDDFRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O4/c1-30-19-11-18(12-20(13-19)31-2)27-25(29)15-32-24-14-23(16-6-4-3-5-7-16)28-22-9-8-17(26)10-21(22)24/h3-14H,15H2,1-2H3,(H,27,29).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(6-fluoro-2-phenylquinolin-4-yl)oxyacetamide?
N-(3,5-dimethoxyphenyl)-2-(6-fluoro-2-phenylquinolin-4-yl)oxyacetamide has a molecular weight of 432.45 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(6-fluoro-2-phenylquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 46298806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).