(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate

C19H14N4O5 — CID 7204399

IUPAC(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SMILESO=C(OCn1nnc2ccccc2c1=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H14N4O5/c24-16-9-10-17(25)23(16)13-7-5-12(6-8-13)19(27)28-11-22-18(26)14-3-1-2-4-15(14)20-21-22/h1-8H,9-11H2
InChIKeyQXCJVBIVACCJET-UHFFFAOYSA-N
MW378.34 g/mol
LogP1.26
Rot. Bonds4

About (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate

(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate (PubChem CID 7204399) has the molecular formula C19H14N4O5 and a molecular weight of 378.34 g/mol. Its IUPAC name is (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
PubChem CID7204399
Molecular FormulaC19H14N4O5
Molecular Weight378.34 g/mol
Exact Mass378.10
IUPAC Name(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SMILESO=C(OCn1nnc2ccccc2c1=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H14N4O5/c24-16-9-10-17(25)23(16)13-7-5-12(6-8-13)19(27)28-11-22-18(26)14-3-1-2-4-15(14)20-21-22/h1-8H,9-11H2
InChIKeyQXCJVBIVACCJET-UHFFFAOYSA-N
XLogP1.26
TPSA111.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methylbenzoate
CID 694208
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-[2-(methanesulfonamido)ethyl]benzoate
CID 166435569
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
The IUPAC name of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate (CID 7204399) is (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
The canonical SMILES for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate is O=C(OCn1nnc2ccccc2c1=O)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
The InChIKey is QXCJVBIVACCJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O5/c24-16-9-10-17(25)23(16)13-7-5-12(6-8-13)19(27)28-11-22-18(26)14-3-1-2-4-15(14)20-21-22/h1-8H,9-11H2.
What are the key properties of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate has a molecular weight of 378.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 7204399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).