2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide

C27H24N2O3 — CID 16825368

IUPAC2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide
SMILESCCc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccccc1
InChIInChI=1S/C27H24N2O3/c1-3-19-11-14-24-22(15-19)27(32)23(26(31)20-12-9-18(2)10-13-20)16-29(24)17-25(30)28-21-7-5-4-6-8-21/h4-16H,3,17H2,1-2H3,(H,28,30)
InChIKeyYVVGYDUCHVWAEW-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.74
Rot. Bonds6

About 2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide

2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide (PubChem CID 16825368) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide
PubChem CID16825368
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide
SMILESCCc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccccc1
InChIInChI=1S/C27H24N2O3/c1-3-19-11-14-24-22(15-19)27(32)23(26(31)20-12-9-18(2)10-13-20)16-29(24)17-25(30)28-21-7-5-4-6-8-21/h4-16H,3,17H2,1-2H3,(H,28,30)
InChIKeyYVVGYDUCHVWAEW-UHFFFAOYSA-N
XLogP4.74
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-benzoyl-6-ethyl-4-oxoquinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16825289
2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 18560579
2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16825329
N-(1,3-benzodioxol-5-yl)-2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 18560350
2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-phenylacetamide
CID 53000630
2-[6-chloro-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide
CID 18560233
N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 16825384
2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 18560086
N-(3,4-difluorophenyl)-2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide
CID 2136558
N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 16825382
2-[3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 16825310
2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 18560402

Frequently Asked Questions

What is the IUPAC name of 2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide (CID 16825368) is 2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide is CCc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide?
The InChIKey is YVVGYDUCHVWAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-3-19-11-14-24-22(15-19)27(32)23(26(31)20-12-9-18(2)10-13-20)16-29(24)17-25(30)28-21-7-5-4-6-8-21/h4-16H,3,17H2,1-2H3,(H,28,30).
What are the key properties of 2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide?
2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide has a molecular weight of 424.50 g/mol, XLogP of 4.74, 6 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-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 16825368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).