2-[3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

C29H28N2O3 — CID 16825310

IUPAC2-[3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C(C)C)cc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C29H28N2O3/c1-4-20-9-11-22(12-10-20)28(33)25-17-31(26-8-6-5-7-24(26)29(25)34)18-27(32)30-23-15-13-21(14-16-23)19(2)3/h5-17,19H,4,18H2,1-3H3,(H,30,32)
InChIKeyYCANPCNZBXRALU-UHFFFAOYSA-N
MW452.55 g/mol
LogP5.56
Rot. Bonds7

About 2-[3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 16825310) has the molecular formula C29H28N2O3 and a molecular weight of 452.55 g/mol. Its IUPAC name is 2-[3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID16825310
Molecular FormulaC29H28N2O3
Molecular Weight452.55 g/mol
Exact Mass452.21
IUPAC Name2-[3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C(C)C)cc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C29H28N2O3/c1-4-20-9-11-22(12-10-20)28(33)25-17-31(26-8-6-5-7-24(26)29(25)34)18-27(32)30-23-15-13-21(14-16-23)19(2)3/h5-17,19H,4,18H2,1-3H3,(H,30,32)
InChIKeyYCANPCNZBXRALU-UHFFFAOYSA-N
XLogP5.56
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-chloro-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide
CID 18560233
2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 18560086
2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 18560579
2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 16825368
N-(4-chlorophenyl)-2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 18560276
N-(4-chlorophenyl)-2-[3-(4-ethylbenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 2141192
2-(3-benzoyl-6-ethyl-4-oxoquinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16825289
N-(3,4-difluorophenyl)-2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide
CID 2136558
2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16825329
N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 16825384
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 20929636
2-[3-(4-ethylbenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2136553

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 16825310) is 2-[3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C(C)C)cc3)c3ccccc3c2=O)cc1.
What is the InChIKey of 2-[3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is YCANPCNZBXRALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3/c1-4-20-9-11-22(12-10-20)28(33)25-17-31(26-8-6-5-7-24(26)29(25)34)18-27(32)30-23-15-13-21(14-16-23)19(2)3/h5-17,19H,4,18H2,1-3H3,(H,30,32).
What are the key properties of 2-[3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 452.55 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 16825310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).