N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide

C17H14BrN3O3 — CID 55905258

IUPACN-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCOc1ccc(Br)cc1NC(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C17H14BrN3O3/c1-24-16-7-6-11(18)8-13(16)20-17(23)10-21-14-5-3-2-4-12(14)15(22)9-19-21/h2-9H,10H2,1H3,(H,20,23)
InChIKeyHXIIPWAGMAIZGU-UHFFFAOYSA-N
MW388.22 g/mol
LogP2.81
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide

N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 55905258) has the molecular formula C17H14BrN3O3 and a molecular weight of 388.22 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID55905258
Molecular FormulaC17H14BrN3O3
Molecular Weight388.22 g/mol
Exact Mass387.02
IUPAC NameN-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCOc1ccc(Br)cc1NC(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C17H14BrN3O3/c1-24-16-7-6-11(18)8-13(16)20-17(23)10-21-14-5-3-2-4-12(14)15(22)9-19-21/h2-9H,10H2,1H3,(H,20,23)
InChIKeyHXIIPWAGMAIZGU-UHFFFAOYSA-N
XLogP2.81
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55413086
N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 87028673
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55957035
N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 17466374
3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide
CID 9084630
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55763290
2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide
CID 55428094
methyl 2-chloro-5-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 134003459
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
N-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55414888
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 100740360
methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate
CID 55709062

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide (CID 55905258) is N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide is COc1ccc(Br)cc1NC(=O)Cn1ncc(=O)c2ccccc21.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is HXIIPWAGMAIZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3/c1-24-16-7-6-11(18)8-13(16)20-17(23)10-21-14-5-3-2-4-12(14)15(22)9-19-21/h2-9H,10H2,1H3,(H,20,23).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide?
N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 388.22 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 55905258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).