2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide

C28H26N2O5 — CID 16825294

IUPAC2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(OCC)ccc32)cc1
InChIInChI=1S/C28H26N2O5/c1-3-34-21-12-10-20(11-13-21)29-26(31)18-30-17-24(27(32)19-8-6-5-7-9-19)28(33)23-16-22(35-4-2)14-15-25(23)30/h5-17H,3-4,18H2,1-2H3,(H,29,31)
InChIKeyIUVUFCOUXYAYTB-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.67
Rot. Bonds9

About 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide

2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide (PubChem CID 16825294) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide
PubChem CID16825294
Molecular FormulaC28H26N2O5
Molecular Weight470.53 g/mol
Exact Mass470.18
IUPAC Name2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(OCC)ccc32)cc1
InChIInChI=1S/C28H26N2O5/c1-3-34-21-12-10-20(11-13-21)29-26(31)18-30-17-24(27(32)19-8-6-5-7-9-19)28(33)23-16-22(35-4-2)14-15-25(23)30/h5-17H,3-4,18H2,1-2H3,(H,29,31)
InChIKeyIUVUFCOUXYAYTB-UHFFFAOYSA-N
XLogP4.67
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(3-chlorophenyl)acetamide
CID 18560099
2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16825329
2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 16825299
N-(4-chlorophenyl)-2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 18560276
N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000661
N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide
CID 2135589
2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 53000893
2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 18560102
2-[6-ethoxy-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 18560373
2-[6-ethoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 16825395
2-(3-benzoyl-6-methoxy-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 20868843
N-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide
CID 2135022

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide (CID 16825294) is 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(OCC)ccc32)cc1.
What is the InChIKey of 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide?
The InChIKey is IUVUFCOUXYAYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O5/c1-3-34-21-12-10-20(11-13-21)29-26(31)18-30-17-24(27(32)19-8-6-5-7-9-19)28(33)23-16-22(35-4-2)14-15-25(23)30/h5-17H,3-4,18H2,1-2H3,(H,29,31).
What are the key properties of 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide?
2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 470.53 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 16825294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).