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

C27H24N2O5 — CID 16825299

IUPAC2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccccc1OC
InChIInChI=1S/C27H24N2O5/c1-3-34-19-13-14-23-20(15-19)27(32)21(26(31)18-9-5-4-6-10-18)16-29(23)17-25(30)28-22-11-7-8-12-24(22)33-2/h4-16H,3,17H2,1-2H3,(H,28,30)
InChIKeyWSZZSLMDGGNOLX-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.28
Rot. Bonds8

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

2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide (PubChem CID 16825299) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide
PubChem CID16825299
Molecular FormulaC27H24N2O5
Molecular Weight456.50 g/mol
Exact Mass456.17
IUPAC Name2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccccc1OC
InChIInChI=1S/C27H24N2O5/c1-3-34-19-13-14-23-20(15-19)27(32)21(26(31)18-9-5-4-6-10-18)16-29(23)17-25(30)28-22-11-7-8-12-24(22)33-2/h4-16H,3,17H2,1-2H3,(H,28,30)
InChIKeyWSZZSLMDGGNOLX-UHFFFAOYSA-N
XLogP4.28
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 16825294
2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(3-chlorophenyl)acetamide
CID 18560099
2-(3-benzoyl-6-methoxy-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 20868843
2-[6-ethoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 16825395
2-[6-ethoxy-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 18560373
N-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 16825378
N-(4-ethoxyphenyl)-2-[3-(4-fluorobenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 20868855
2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 18560102
2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16825329
N-(4-chlorophenyl)-2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 18560276
2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 20929743
N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide
CID 2135589

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide (CID 16825299) is 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide is CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccccc1OC.
What is the InChIKey of 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide?
The InChIKey is WSZZSLMDGGNOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5/c1-3-34-19-13-14-23-20(15-19)27(32)21(26(31)18-9-5-4-6-10-18)16-29(23)17-25(30)28-22-11-7-8-12-24(22)33-2/h4-16H,3,17H2,1-2H3,(H,28,30).
What are the key properties of 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide?
2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide has a molecular weight of 456.50 g/mol, XLogP of 4.28, 8 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-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 16825299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).