N-(2-fluorophenyl)-2-(2-oxo-4-phenyl-1-propylquinolin-7-yl)oxyacetamide

C26H23FN2O3 — CID 42690282

IUPACN-(2-fluorophenyl)-2-(2-oxo-4-phenyl-1-propylquinolin-7-yl)oxyacetamide
SMILESCCCn1c(=O)cc(-c2ccccc2)c2ccc(OCC(=O)Nc3ccccc3F)cc21
InChIInChI=1S/C26H23FN2O3/c1-2-14-29-24-15-19(32-17-25(30)28-23-11-7-6-10-22(23)27)12-13-20(24)21(16-26(29)31)18-8-4-3-5-9-18/h3-13,15-16H,2,14,17H2,1H3,(H,28,30)
InChIKeyGOXJUWWXCLYSJM-UHFFFAOYSA-N
MW430.48 g/mol
LogP5.24
Rot. Bonds7

About N-(2-fluorophenyl)-2-(2-oxo-4-phenyl-1-propylquinolin-7-yl)oxyacetamide

N-(2-fluorophenyl)-2-(2-oxo-4-phenyl-1-propylquinolin-7-yl)oxyacetamide (PubChem CID 42690282) has the molecular formula C26H23FN2O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(2-oxo-4-phenyl-1-propylquinolin-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(2-oxo-4-phenyl-1-propylquinolin-7-yl)oxyacetamide
PubChem CID42690282
Molecular FormulaC26H23FN2O3
Molecular Weight430.48 g/mol
Exact Mass430.17
IUPAC NameN-(2-fluorophenyl)-2-(2-oxo-4-phenyl-1-propylquinolin-7-yl)oxyacetamide
SMILESCCCn1c(=O)cc(-c2ccccc2)c2ccc(OCC(=O)Nc3ccccc3F)cc21
InChIInChI=1S/C26H23FN2O3/c1-2-14-29-24-15-19(32-17-25(30)28-23-11-7-6-10-22(23)27)12-13-20(24)21(16-26(29)31)18-8-4-3-5-9-18/h3-13,15-16H,2,14,17H2,1H3,(H,28,30)
InChIKeyGOXJUWWXCLYSJM-UHFFFAOYSA-N
XLogP5.24
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(2-oxo-4-phenyl-1-propylquinolin-7-yl)oxyacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(2-oxo-4-phenyl-1-propylquinolin-7-yl)oxyacetamide (CID 42690282) is N-(2-fluorophenyl)-2-(2-oxo-4-phenyl-1-propylquinolin-7-yl)oxyacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(2-oxo-4-phenyl-1-propylquinolin-7-yl)oxyacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(2-oxo-4-phenyl-1-propylquinolin-7-yl)oxyacetamide is CCCn1c(=O)cc(-c2ccccc2)c2ccc(OCC(=O)Nc3ccccc3F)cc21.
What is the InChIKey of N-(2-fluorophenyl)-2-(2-oxo-4-phenyl-1-propylquinolin-7-yl)oxyacetamide?
The InChIKey is GOXJUWWXCLYSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O3/c1-2-14-29-24-15-19(32-17-25(30)28-23-11-7-6-10-22(23)27)12-13-20(24)21(16-26(29)31)18-8-4-3-5-9-18/h3-13,15-16H,2,14,17H2,1H3,(H,28,30).
What are the key properties of N-(2-fluorophenyl)-2-(2-oxo-4-phenyl-1-propylquinolin-7-yl)oxyacetamide?
N-(2-fluorophenyl)-2-(2-oxo-4-phenyl-1-propylquinolin-7-yl)oxyacetamide has a molecular weight of 430.48 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(2-oxo-4-phenyl-1-propylquinolin-7-yl)oxyacetamide is sourced from PubChem (CID 42690282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).