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

C28H25FN2O3 — CID 18560579

IUPAC2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(CC)cc3c2=O)cc1
InChIInChI=1S/C28H25FN2O3/c1-3-18-5-8-20(9-6-18)27(33)24-16-31(17-26(32)30-22-12-10-21(29)11-13-22)25-14-7-19(4-2)15-23(25)28(24)34/h5-16H,3-4,17H2,1-2H3,(H,30,32)
InChIKeyMPUDJGDOTOVYDI-UHFFFAOYSA-N
MW456.52 g/mol
LogP5.14
Rot. Bonds7

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

2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 18560579) has the molecular formula C28H25FN2O3 and a molecular weight of 456.52 g/mol. Its IUPAC name is 2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID18560579
Molecular FormulaC28H25FN2O3
Molecular Weight456.52 g/mol
Exact Mass456.18
IUPAC Name2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(CC)cc3c2=O)cc1
InChIInChI=1S/C28H25FN2O3/c1-3-18-5-8-20(9-6-18)27(33)24-16-31(17-26(32)30-22-12-10-21(29)11-13-22)25-14-7-19(4-2)15-23(25)28(24)34/h5-16H,3-4,17H2,1-2H3,(H,30,32)
InChIKeyMPUDJGDOTOVYDI-UHFFFAOYSA-N
XLogP5.14
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide
CID 2136558
2-[3-(4-ethylbenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2136553
2-[6-chloro-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide
CID 18560233
2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 16825368
N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 16825384
2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 18560402
2-(3-benzoyl-6-ethyl-4-oxoquinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16825289
2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16825329
N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide
CID 2135589
N-(4-chlorophenyl)-2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 18560276
N-(1,3-benzodioxol-5-yl)-2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 18560350
2-[3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 16825310

Frequently Asked Questions

What is the IUPAC name of 2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide (CID 18560579) is 2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide is CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(CC)cc3c2=O)cc1.
What is the InChIKey of 2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is MPUDJGDOTOVYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O3/c1-3-18-5-8-20(9-6-18)27(33)24-16-31(17-26(32)30-22-12-10-21(29)11-13-22)25-14-7-19(4-2)15-23(25)28(24)34/h5-16H,3-4,17H2,1-2H3,(H,30,32).
What are the key properties of 2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 456.52 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 18560579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).