4-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl)-1,2,5-oxadiazole-3-carboxamide

C16H15N5O4 — CID 118710026

IUPAC4-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNC(=O)c1nonc1C(=O)N1CC(=O)N2CCc3ccccc3C2C1
InChIInChI=1S/C16H15N5O4/c17-15(23)13-14(19-25-18-13)16(24)20-7-11-10-4-2-1-3-9(10)5-6-21(11)12(22)8-20/h1-4,11H,5-8H2,(H2,17,23)
InChIKeyYXMGNEZPPGUCSF-UHFFFAOYSA-N
MW341.33 g/mol
LogP-0.25
Rot. Bonds2

About 4-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl)-1,2,5-oxadiazole-3-carboxamide

4-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 118710026) has the molecular formula C16H15N5O4 and a molecular weight of 341.33 g/mol. Its IUPAC name is 4-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID118710026
Molecular FormulaC16H15N5O4
Molecular Weight341.33 g/mol
Exact Mass341.11
IUPAC Name4-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNC(=O)c1nonc1C(=O)N1CC(=O)N2CCc3ccccc3C2C1
InChIInChI=1S/C16H15N5O4/c17-15(23)13-14(19-25-18-13)16(24)20-7-11-10-4-2-1-3-9(10)5-6-21(11)12(22)8-20/h1-4,11H,5-8H2,(H2,17,23)
InChIKeyYXMGNEZPPGUCSF-UHFFFAOYSA-N
XLogP-0.25
TPSA122.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl)-1,2,5-oxadiazole-3-carboxamide (CID 118710026) is 4-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl)-1,2,5-oxadiazole-3-carboxamide is NC(=O)c1nonc1C(=O)N1CC(=O)N2CCc3ccccc3C2C1.
What is the InChIKey of 4-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is YXMGNEZPPGUCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4/c17-15(23)13-14(19-25-18-13)16(24)20-7-11-10-4-2-1-3-9(10)5-6-21(11)12(22)8-20/h1-4,11H,5-8H2,(H2,17,23).
What are the key properties of 4-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl)-1,2,5-oxadiazole-3-carboxamide?
4-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 341.33 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 118710026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).