ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate

C19H17N3O4 — CID 55415120

IUPACethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Cn2ncc(=O)c3ccccc32)c1
InChIInChI=1S/C19H17N3O4/c1-2-26-19(25)13-6-5-7-14(10-13)21-18(24)12-22-16-9-4-3-8-15(16)17(23)11-20-22/h3-11H,2,12H2,1H3,(H,21,24)
InChIKeyZOAHTDLMIOMILZ-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.21
Rot. Bonds5

About ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate

ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate (PubChem CID 55415120) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
PubChem CID55415120
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Nameethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Cn2ncc(=O)c3ccccc32)c1
InChIInChI=1S/C19H17N3O4/c1-2-26-19(25)13-6-5-7-14(10-13)21-18(24)12-22-16-9-4-3-8-15(16)17(23)11-20-22/h3-11H,2,12H2,1H3,(H,21,24)
InChIKeyZOAHTDLMIOMILZ-UHFFFAOYSA-N
XLogP2.21
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide
CID 134008602
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
methyl 2-chloro-5-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 134003459
4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide
CID 52702471
ethyl 3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]benzoate
CID 9228145
N-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55879347
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55957035
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
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
methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate
CID 55709062
ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate
CID 4901992

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate (CID 55415120) is ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)Cn2ncc(=O)c3ccccc32)c1.
What is the InChIKey of ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate?
The InChIKey is ZOAHTDLMIOMILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-2-26-19(25)13-6-5-7-14(10-13)21-18(24)12-22-16-9-4-3-8-15(16)17(23)11-20-22/h3-11H,2,12H2,1H3,(H,21,24).
What are the key properties of ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate?
ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate has a molecular weight of 351.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 55415120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).