2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide

C20H19BrN2O2 — CID 100736482

IUPAC2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cn1ccc(=O)c2cc(Br)ccc21
InChIInChI=1S/C20H19BrN2O2/c1-3-14-6-4-5-13(2)20(14)22-19(25)12-23-10-9-18(24)16-11-15(21)7-8-17(16)23/h4-11H,3,12H2,1-2H3,(H,22,25)
InChIKeyTZLBBHYSBMVRBU-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.27
Rot. Bonds4

About 2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide

2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 100736482) has the molecular formula C20H19BrN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID100736482
Molecular FormulaC20H19BrN2O2
Molecular Weight399.29 g/mol
Exact Mass398.06
IUPAC Name2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cn1ccc(=O)c2cc(Br)ccc21
InChIInChI=1S/C20H19BrN2O2/c1-3-14-6-4-5-13(2)20(14)22-19(25)12-23-10-9-18(24)16-11-15(21)7-8-17(16)23/h4-11H,3,12H2,1-2H3,(H,22,25)
InChIKeyTZLBBHYSBMVRBU-UHFFFAOYSA-N
XLogP4.27
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)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

2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100734953
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 100740902
2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide
CID 100736017
2-(6-bromo-4-oxoquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 100736460
N-(3-bromophenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741597
2-(7-chloro-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 100739307
ethyl 2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetate
CID 100779669
N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide
CID 100736190
2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide
CID 100779672
2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 100737711
2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100698808
N-(2,3-dimethylphenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741423

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide (CID 100736482) is 2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)Cn1ccc(=O)c2cc(Br)ccc21.
What is the InChIKey of 2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is TZLBBHYSBMVRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O2/c1-3-14-6-4-5-13(2)20(14)22-19(25)12-23-10-9-18(24)16-11-15(21)7-8-17(16)23/h4-11H,3,12H2,1-2H3,(H,22,25).
What are the key properties of 2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 399.29 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 100736482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).