N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide

C18H17N3O3 — CID 87028673

IUPACN-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCOc1cc(C)ccc1NC(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C18H17N3O3/c1-12-7-8-14(17(9-12)24-2)20-18(23)11-21-15-6-4-3-5-13(15)16(22)10-19-21/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyFIXXMMGULUIOBV-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.35
Rot. Bonds4

About N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide

N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 87028673) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID87028673
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCOc1cc(C)ccc1NC(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C18H17N3O3/c1-12-7-8-14(17(9-12)24-2)20-18(23)11-21-15-6-4-3-5-13(15)16(22)10-19-21/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyFIXXMMGULUIOBV-UHFFFAOYSA-N
XLogP2.35
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.35
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-(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
2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide
CID 9088380
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
N-[2-(4-methylphenoxy)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51254853
2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 103218386
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

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide (CID 87028673) is N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide is COc1cc(C)ccc1NC(=O)Cn1ncc(=O)c2ccccc21.
What is the InChIKey of N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is FIXXMMGULUIOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-7-8-14(17(9-12)24-2)20-18(23)11-21-15-6-4-3-5-13(15)16(22)10-19-21/h3-10H,11H2,1-2H3,(H,20,23).
What are the key properties of N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide?
N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 87028673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).