methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate

C13H9N3O3 — CID 50942143

IUPACmethyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[nH]c(=O)c1nccnc12
InChIInChI=1S/C13H9N3O3/c1-19-13(18)7-2-3-8-9(6-7)16-12(17)11-10(8)14-4-5-15-11/h2-6H,1H3,(H,16,17)
InChIKeyZLMYHNGPVKEAMJ-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.26
Rot. Bonds1

About methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate

methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate (PubChem CID 50942143) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate
PubChem CID50942143
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Namemethyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[nH]c(=O)c1nccnc12
InChIInChI=1S/C13H9N3O3/c1-19-13(18)7-2-3-8-9(6-7)16-12(17)11-10(8)14-4-5-15-11/h2-6H,1H3,(H,16,17)
InChIKeyZLMYHNGPVKEAMJ-UHFFFAOYSA-N
XLogP1.26
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

methyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate
CID 171572815
8-chloro-6H-pyrazino[2,3-c]quinolin-5-one
CID 121219727
methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate
CID 126753254
methyl 4-oxo-2-phenyl-3,9-dihydropyrimido[4,5-b]indole-7-carboxylate
CID 136953100
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
methyl 2-benzyl-4-oxo-3,9-dihydropyrimido[4,5-b]indole-7-carboxylate
CID 136953102
methyl 3,5,8,10-tetraoxo-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,6,11,13(18),14,16-hexaene-15-carboxylate
CID 11696235
methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
methyl 3-carbamoyl-1H-indazole-6-carboxylate
CID 166522746
methyl 4-oxo-1H-cinnoline-6-carboxylate
CID 67119550
methyl 1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxylate
CID 163408833

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate?
The IUPAC name of methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate (CID 50942143) is methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate.
What is the SMILES notation for methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate?
The canonical SMILES for methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate is COC(=O)c1ccc2c(c1)[nH]c(=O)c1nccnc12.
What is the InChIKey of methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate?
The InChIKey is ZLMYHNGPVKEAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c1-19-13(18)7-2-3-8-9(6-7)16-12(17)11-10(8)14-4-5-15-11/h2-6H,1H3,(H,16,17).
What are the key properties of methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate?
methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate has a molecular weight of 255.23 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate is sourced from PubChem (CID 50942143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).