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

C26H21ClN2O4 — CID 18560099

IUPAC2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(3-chlorophenyl)acetamide
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C26H21ClN2O4/c1-2-33-20-11-12-23-21(14-20)26(32)22(25(31)17-7-4-3-5-8-17)15-29(23)16-24(30)28-19-10-6-9-18(27)13-19/h3-15H,2,16H2,1H3,(H,28,30)
InChIKeyUPEZMOLEGKLPBE-UHFFFAOYSA-N
MW460.92 g/mol
LogP4.92
Rot. Bonds7

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

2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(3-chlorophenyl)acetamide (PubChem CID 18560099) has the molecular formula C26H21ClN2O4 and a molecular weight of 460.92 g/mol. Its IUPAC name is 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(3-chlorophenyl)acetamide
PubChem CID18560099
Molecular FormulaC26H21ClN2O4
Molecular Weight460.92 g/mol
Exact Mass460.12
IUPAC Name2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(3-chlorophenyl)acetamide
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C26H21ClN2O4/c1-2-33-20-11-12-23-21(14-20)26(32)22(25(31)17-7-4-3-5-8-17)15-29(23)16-24(30)28-19-10-6-9-18(27)13-19/h3-15H,2,16H2,1H3,(H,28,30)
InChIKeyUPEZMOLEGKLPBE-UHFFFAOYSA-N
XLogP4.92
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.92
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 16825294
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-(4-chlorophenyl)-2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 18560276
2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 18560102
2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 16825299
N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide
CID 2135589
2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16825329
2-(3-benzoyl-6-methoxy-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 20868843
N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000661
2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 53000893
N-(3-chlorophenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929576

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(3-chlorophenyl)acetamide (CID 18560099) is 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(3-chlorophenyl)acetamide is CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(3-chlorophenyl)acetamide?
The InChIKey is UPEZMOLEGKLPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O4/c1-2-33-20-11-12-23-21(14-20)26(32)22(25(31)17-7-4-3-5-8-17)15-29(23)16-24(30)28-19-10-6-9-18(27)13-19/h3-15H,2,16H2,1H3,(H,28,30).
What are the key properties of 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(3-chlorophenyl)acetamide?
2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(3-chlorophenyl)acetamide has a molecular weight of 460.92 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 18560099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).