2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide

C21H21BrN2O2 — CID 100740902

IUPAC2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cn1ccc(=O)c2ccc(Br)cc21
InChIInChI=1S/C21H21BrN2O2/c1-3-14-6-5-7-15(4-2)21(14)23-20(26)13-24-11-10-19(25)17-9-8-16(22)12-18(17)24/h5-12H,3-4,13H2,1-2H3,(H,23,26)
InChIKeyCZEFGMMCZFTUHU-UHFFFAOYSA-N
MW413.32 g/mol
LogP4.53
Rot. Bonds5

About 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide

2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide (PubChem CID 100740902) has the molecular formula C21H21BrN2O2 and a molecular weight of 413.32 g/mol. Its IUPAC name is 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
PubChem CID100740902
Molecular FormulaC21H21BrN2O2
Molecular Weight413.32 g/mol
Exact Mass412.08
IUPAC Name2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cn1ccc(=O)c2ccc(Br)cc21
InChIInChI=1S/C21H21BrN2O2/c1-3-14-6-5-7-15(4-2)21(14)23-20(26)13-24-11-10-19(25)17-9-8-16(22)12-18(17)24/h5-12H,3-4,13H2,1-2H3,(H,23,26)
InChIKeyCZEFGMMCZFTUHU-UHFFFAOYSA-N
XLogP4.53
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-chloro-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 100739307
2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100736482
2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100739512
2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 100739906
methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 100740419
2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 100739658
2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 100740298
2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100734953
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 100740360
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 100740874
2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide
CID 100736017
2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 100740218

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide (CID 100740902) is 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)Cn1ccc(=O)c2ccc(Br)cc21.
What is the InChIKey of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide?
The InChIKey is CZEFGMMCZFTUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O2/c1-3-14-6-5-7-15(4-2)21(14)23-20(26)13-24-11-10-19(25)17-9-8-16(22)12-18(17)24/h5-12H,3-4,13H2,1-2H3,(H,23,26).
What are the key properties of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide?
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide has a molecular weight of 413.32 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 100740902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).