2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide

C23H17FN2O2 — CID 46298801

IUPAC2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide
SMILESO=C(COc1cc(-c2ccccc2)nc2ccc(F)cc12)Nc1ccccc1
InChIInChI=1S/C23H17FN2O2/c24-17-11-12-20-19(13-17)22(14-21(26-20)16-7-3-1-4-8-16)28-15-23(27)25-18-9-5-2-6-10-18/h1-14H,15H2,(H,25,27)
InChIKeyBWLGZAYTVDAIBP-UHFFFAOYSA-N
MW372.40 g/mol
LogP5.06
Rot. Bonds5

About 2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide

2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide (PubChem CID 46298801) has the molecular formula C23H17FN2O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide
PubChem CID46298801
Molecular FormulaC23H17FN2O2
Molecular Weight372.40 g/mol
Exact Mass372.13
IUPAC Name2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide
SMILESO=C(COc1cc(-c2ccccc2)nc2ccc(F)cc12)Nc1ccccc1
InChIInChI=1S/C23H17FN2O2/c24-17-11-12-20-19(13-17)22(14-21(26-20)16-7-3-1-4-8-16)28-15-23(27)25-18-9-5-2-6-10-18/h1-14H,15H2,(H,25,27)
InChIKeyBWLGZAYTVDAIBP-UHFFFAOYSA-N
XLogP5.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide?
The IUPAC name of 2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide (CID 46298801) is 2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide.
What is the SMILES notation for 2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide?
The canonical SMILES for 2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide is O=C(COc1cc(-c2ccccc2)nc2ccc(F)cc12)Nc1ccccc1.
What is the InChIKey of 2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide?
The InChIKey is BWLGZAYTVDAIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2/c24-17-11-12-20-19(13-17)22(14-21(26-20)16-7-3-1-4-8-16)28-15-23(27)25-18-9-5-2-6-10-18/h1-14H,15H2,(H,25,27).
What are the key properties of 2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide?
2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide has a molecular weight of 372.40 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide is sourced from PubChem (CID 46298801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).