N-(4-fluorophenyl)-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide

C27H24F2N2O3 — CID 42690327

IUPACN-(4-fluorophenyl)-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide
SMILESCC(C)c1cc(=O)n(Cc2cccc(F)c2)c2cc(OCC(=O)Nc3ccc(F)cc3)ccc12
InChIInChI=1S/C27H24F2N2O3/c1-17(2)24-14-27(33)31(15-18-4-3-5-20(29)12-18)25-13-22(10-11-23(24)25)34-16-26(32)30-21-8-6-19(28)7-9-21/h3-14,17H,15-16H2,1-2H3,(H,30,32)
InChIKeyXLUYGJYVLYCZON-UHFFFAOYSA-N
MW462.50 g/mol
LogP5.47
Rot. Bonds7

About N-(4-fluorophenyl)-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide

N-(4-fluorophenyl)-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide (PubChem CID 42690327) has the molecular formula C27H24F2N2O3 and a molecular weight of 462.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide
PubChem CID42690327
Molecular FormulaC27H24F2N2O3
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC NameN-(4-fluorophenyl)-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide
SMILESCC(C)c1cc(=O)n(Cc2cccc(F)c2)c2cc(OCC(=O)Nc3ccc(F)cc3)ccc12
InChIInChI=1S/C27H24F2N2O3/c1-17(2)24-14-27(33)31(15-18-4-3-5-20(29)12-18)25-13-22(10-11-23(24)25)34-16-26(32)30-21-8-6-19(28)7-9-21/h3-14,17H,15-16H2,1-2H3,(H,30,32)
InChIKeyXLUYGJYVLYCZON-UHFFFAOYSA-N
XLogP5.47
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.50
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide (CID 42690327) is N-(4-fluorophenyl)-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide is CC(C)c1cc(=O)n(Cc2cccc(F)c2)c2cc(OCC(=O)Nc3ccc(F)cc3)ccc12.
What is the InChIKey of N-(4-fluorophenyl)-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide?
The InChIKey is XLUYGJYVLYCZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N2O3/c1-17(2)24-14-27(33)31(15-18-4-3-5-20(29)12-18)25-13-22(10-11-23(24)25)34-16-26(32)30-21-8-6-19(28)7-9-21/h3-14,17H,15-16H2,1-2H3,(H,30,32).
What are the key properties of N-(4-fluorophenyl)-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide?
N-(4-fluorophenyl)-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide has a molecular weight of 462.50 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide is sourced from PubChem (CID 42690327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).