N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide

C19H19N3O4 — CID 55413086

IUPACN-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCOc1cc(C)c(NC(=O)Cn2ncc(=O)c3ccccc32)cc1OC
InChIInChI=1S/C19H19N3O4/c1-12-8-17(25-2)18(26-3)9-14(12)21-19(24)11-22-15-7-5-4-6-13(15)16(23)10-20-22/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyRNWJVMMFLUEPAA-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.36
Rot. Bonds5

About N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide

N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 55413086) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID55413086
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCOc1cc(C)c(NC(=O)Cn2ncc(=O)c3ccccc32)cc1OC
InChIInChI=1S/C19H19N3O4/c1-12-8-17(25-2)18(26-3)9-14(12)21-19(24)11-22-15-7-5-4-6-13(15)16(23)10-20-22/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyRNWJVMMFLUEPAA-UHFFFAOYSA-N
XLogP2.36
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 87028673
N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55905258
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-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide
CID 9088380
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
ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 55415120
N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097739
N-(4-iodo-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 55439085

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide (CID 55413086) is N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide is COc1cc(C)c(NC(=O)Cn2ncc(=O)c3ccccc32)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is RNWJVMMFLUEPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12-8-17(25-2)18(26-3)9-14(12)21-19(24)11-22-15-7-5-4-6-13(15)16(23)10-20-22/h4-10H,11H2,1-3H3,(H,21,24).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide?
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 353.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 55413086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).