2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide

C21H21BrN2O3 — CID 27676108

IUPAC2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2cccc3cccnc23)cc1OCC
InChIInChI=1S/C21H21BrN2O3/c1-3-26-18-11-15(16(22)13-19(18)27-4-2)12-20(25)24-17-9-5-7-14-8-6-10-23-21(14)17/h5-11,13H,3-4,12H2,1-2H3,(H,24,25)
InChIKeyPZIUEIMBQQLNKW-UHFFFAOYSA-N
MW429.31 g/mol
LogP4.98
Rot. Bonds7

About 2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide

2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide (PubChem CID 27676108) has the molecular formula C21H21BrN2O3 and a molecular weight of 429.31 g/mol. Its IUPAC name is 2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide
PubChem CID27676108
Molecular FormulaC21H21BrN2O3
Molecular Weight429.31 g/mol
Exact Mass428.07
IUPAC Name2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2cccc3cccnc23)cc1OCC
InChIInChI=1S/C21H21BrN2O3/c1-3-26-18-11-15(16(22)13-19(18)27-4-2)12-20(25)24-17-9-5-7-14-8-6-10-23-21(14)17/h5-11,13H,3-4,12H2,1-2H3,(H,24,25)
InChIKeyPZIUEIMBQQLNKW-UHFFFAOYSA-N
XLogP4.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 24673330
2-(5-fluoro-2-methoxyphenyl)-N-quinolin-8-ylacetamide
CID 110767221
3,4,5-triethoxy-N-quinolin-8-ylbenzamide
CID 1018003
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(2-bromo-4,5-diethoxyphenyl)acetate
CID 27804316
3-ethoxy-4-methoxy-N-quinolin-8-ylbenzamide
CID 26123353
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 27648826
2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55907363
2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 31013760
2-ethoxy-N-(quinolin-8-ylmethyl)aniline
CID 28612848
2-(2,4-dimethoxy-3-methylphenyl)-N-quinolin-8-ylacetamide
CID 110769870
N-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978120

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide (CID 27676108) is 2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide is CCOc1cc(Br)c(CC(=O)Nc2cccc3cccnc23)cc1OCC.
What is the InChIKey of 2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide?
The InChIKey is PZIUEIMBQQLNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O3/c1-3-26-18-11-15(16(22)13-19(18)27-4-2)12-20(25)24-17-9-5-7-14-8-6-10-23-21(14)17/h5-11,13H,3-4,12H2,1-2H3,(H,24,25).
What are the key properties of 2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide?
2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide has a molecular weight of 429.31 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 27676108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).