2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide

C25H20BrN3O4 — CID 53000893

IUPAC2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Br)ccc32)cc1
InChIInChI=1S/C25H20BrN3O4/c1-2-33-19-6-4-18(5-7-19)28-23(30)15-29-14-21(24(31)16-9-11-27-12-10-16)25(32)20-13-17(26)3-8-22(20)29/h3-14H,2,15H2,1H3,(H,28,30)
InChIKeyMLWJRUCUZANRTG-UHFFFAOYSA-N
MW506.36 g/mol
LogP4.43
Rot. Bonds7

About 2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide

2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 53000893) has the molecular formula C25H20BrN3O4 and a molecular weight of 506.36 g/mol. Its IUPAC name is 2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID53000893
Molecular FormulaC25H20BrN3O4
Molecular Weight506.36 g/mol
Exact Mass505.06
IUPAC Name2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Br)ccc32)cc1
InChIInChI=1S/C25H20BrN3O4/c1-2-33-19-6-4-18(5-7-19)28-23(30)15-29-14-21(24(31)16-9-11-27-12-10-16)25(32)20-13-17(26)3-8-22(20)29/h3-14H,2,15H2,1H3,(H,28,30)
InChIKeyMLWJRUCUZANRTG-UHFFFAOYSA-N
XLogP4.43
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000661
2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 16825294
2-[6-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53000689
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
N-(4-chlorophenyl)-2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 18560276
N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000650
2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-phenylacetamide
CID 53000630
N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000775
N-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide
CID 2135022
2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(3-chlorophenyl)acetamide
CID 18560099
N-(4-ethoxyphenyl)-2-[3-(4-fluorobenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 20868855

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide (CID 53000893) is 2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Br)ccc32)cc1.
What is the InChIKey of 2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is MLWJRUCUZANRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN3O4/c1-2-33-19-6-4-18(5-7-19)28-23(30)15-29-14-21(24(31)16-9-11-27-12-10-16)25(32)20-13-17(26)3-8-22(20)29/h3-14H,2,15H2,1H3,(H,28,30).
What are the key properties of 2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide?
2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 506.36 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 53000893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).