methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate

C19H17N3O5 — CID 55709062

IUPACmethyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C19H17N3O5/c1-26-19(25)12-27-14-8-6-13(7-9-14)21-18(24)11-22-16-5-3-2-4-15(16)17(23)10-20-22/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyLAQVHLMDROPIEA-UHFFFAOYSA-N
MW367.36 g/mol
LogP1.59
Rot. Bonds6

About methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate

methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate (PubChem CID 55709062) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate
PubChem CID55709062
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Namemethyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C19H17N3O5/c1-26-19(25)12-27-14-8-6-13(7-9-14)21-18(24)11-22-16-5-3-2-4-15(16)17(23)10-20-22/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyLAQVHLMDROPIEA-UHFFFAOYSA-N
XLogP1.59
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate with MolForge

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Related Compounds

2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
CID 25485810
methyl 2-chloro-5-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 134003459
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55763290
2-(4-oxocinnolin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 38853339
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55957035
N-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 55653141
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55413086
N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide
CID 134008602
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 134004829
ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 55415120
(2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate
CID 55444031

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate (CID 55709062) is methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)cc1.
What is the InChIKey of methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate?
The InChIKey is LAQVHLMDROPIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-26-19(25)12-27-14-8-6-13(7-9-14)21-18(24)11-22-16-5-3-2-4-15(16)17(23)10-20-22/h2-10H,11-12H2,1H3,(H,21,24).
What are the key properties of methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate?
methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate has a molecular weight of 367.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate is sourced from PubChem (CID 55709062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).