methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate

C17H14N4O4 — CID 2714539

IUPACmethyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C17H14N4O4/c1-25-17(24)12-7-3-4-8-13(12)18-15(22)10-21-16(23)11-6-2-5-9-14(11)19-20-21/h2-9H,10H2,1H3,(H,18,22)
InChIKeyFOBDAQQPQCZSRA-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.22
Rot. Bonds4

About methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate

methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate (PubChem CID 2714539) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate
PubChem CID2714539
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Namemethyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C17H14N4O4/c1-25-17(24)12-7-3-4-8-13(12)18-15(22)10-21-16(23)11-6-2-5-9-14(11)19-20-21/h2-9H,10H2,1H3,(H,18,22)
InChIKeyFOBDAQQPQCZSRA-UHFFFAOYSA-N
XLogP1.22
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]benzoate
CID 4974103
N-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 9354097
N-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 52899779
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26465780
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
N-(5-acetamido-2-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55691997
N-(4-tert-butylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7919313
2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]benzamide
CID 4905480
N-(2,6-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714538
N-(4-anilinophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 46554459

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate (CID 2714539) is methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cn1nnc2ccccc2c1=O.
What is the InChIKey of methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate?
The InChIKey is FOBDAQQPQCZSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4/c1-25-17(24)12-7-3-4-8-13(12)18-15(22)10-21-16(23)11-6-2-5-9-14(11)19-20-21/h2-9H,10H2,1H3,(H,18,22).
What are the key properties of methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate?
methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate has a molecular weight of 338.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 2714539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).