2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide

C19H17BrN2O2 — CID 100739906

IUPAC2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)c1
InChIInChI=1S/C19H17BrN2O2/c1-12-7-13(2)9-15(8-12)21-19(24)11-22-6-5-18(23)16-4-3-14(20)10-17(16)22/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyIQLJOTZACCZAIF-UHFFFAOYSA-N
MW385.26 g/mol
LogP4.02
Rot. Bonds3

About 2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide

2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 100739906) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide
PubChem CID100739906
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC Name2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)c1
InChIInChI=1S/C19H17BrN2O2/c1-12-7-13(2)9-15(8-12)21-19(24)11-22-6-5-18(23)16-4-3-14(20)10-17(16)22/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyIQLJOTZACCZAIF-UHFFFAOYSA-N
XLogP4.02
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)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

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-propan-2-ylacetamide
CID 100739512
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 100740360
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 100740902
2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 100740298
2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 100740218
N-(3-bromophenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741597
2-(6-bromo-4-oxoquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 100736460
2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide
CID 100738455
ethyl 2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetate
CID 100779669
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 100740874

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide (CID 100739906) is 2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)c1.
What is the InChIKey of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is IQLJOTZACCZAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c1-12-7-13(2)9-15(8-12)21-19(24)11-22-6-5-18(23)16-4-3-14(20)10-17(16)22/h3-10H,11H2,1-2H3,(H,21,24).
What are the key properties of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide?
2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 385.26 g/mol, XLogP of 4.02, 3 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-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 100739906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).