2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide

C26H20F2N2O3 — CID 2138325

IUPAC2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C26H20F2N2O3/c1-2-16-3-5-17(6-4-16)25(32)22-14-30(23-12-9-19(28)13-21(23)26(22)33)15-24(31)29-20-10-7-18(27)8-11-20/h3-14H,2,15H2,1H3,(H,29,31)
InChIKeySNGYGIYOYBEXQW-UHFFFAOYSA-N
MW446.45 g/mol
LogP4.71
Rot. Bonds6

About 2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide

2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 2138325) has the molecular formula C26H20F2N2O3 and a molecular weight of 446.45 g/mol. Its IUPAC name is 2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID2138325
Molecular FormulaC26H20F2N2O3
Molecular Weight446.45 g/mol
Exact Mass446.14
IUPAC Name2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C26H20F2N2O3/c1-2-16-3-5-17(6-4-16)25(32)22-14-30(23-12-9-19(28)13-21(23)26(22)33)15-24(31)29-20-10-7-18(27)8-11-20/h3-14H,2,15H2,1H3,(H,29,31)
InChIKeySNGYGIYOYBEXQW-UHFFFAOYSA-N
XLogP4.71
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide (CID 2138325) is 2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide is CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(F)cc3c2=O)cc1.
What is the InChIKey of 2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is SNGYGIYOYBEXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N2O3/c1-2-16-3-5-17(6-4-16)25(32)22-14-30(23-12-9-19(28)13-21(23)26(22)33)15-24(31)29-20-10-7-18(27)8-11-20/h3-14H,2,15H2,1H3,(H,29,31).
What are the key properties of 2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 446.45 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2138325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).