11-phenyl-3,4-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,6-dione

C18H14N2O2 — CID 21463158

IUPAC11-phenyl-3,4-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,6-dione
SMILESO=C1NCCn2c1c(-c1ccccc1)c1ccccc1c2=O
InChIInChI=1S/C18H14N2O2/c21-17-16-15(12-6-2-1-3-7-12)13-8-4-5-9-14(13)18(22)20(16)11-10-19-17/h1-9H,10-11H2,(H,19,21)
InChIKeyGPURVZXDZUBNGT-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.41
Rot. Bonds1

About 11-phenyl-3,4-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,6-dione

11-phenyl-3,4-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,6-dione (PubChem CID 21463158) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 11-phenyl-3,4-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,6-dione.

Molecular Properties

Compound Name11-phenyl-3,4-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,6-dione
PubChem CID21463158
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name11-phenyl-3,4-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,6-dione
SMILESO=C1NCCn2c1c(-c1ccccc1)c1ccccc1c2=O
InChIInChI=1S/C18H14N2O2/c21-17-16-15(12-6-2-1-3-7-12)13-8-4-5-9-14(13)18(22)20(16)11-10-19-17/h1-9H,10-11H2,(H,19,21)
InChIKeyGPURVZXDZUBNGT-UHFFFAOYSA-N
XLogP2.41
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-phenyl-3,4-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,6-dione?
The IUPAC name of 11-phenyl-3,4-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,6-dione (CID 21463158) is 11-phenyl-3,4-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,6-dione.
What is the SMILES notation for 11-phenyl-3,4-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,6-dione?
The canonical SMILES for 11-phenyl-3,4-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,6-dione is O=C1NCCn2c1c(-c1ccccc1)c1ccccc1c2=O.
What is the InChIKey of 11-phenyl-3,4-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,6-dione?
The InChIKey is GPURVZXDZUBNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-17-16-15(12-6-2-1-3-7-12)13-8-4-5-9-14(13)18(22)20(16)11-10-19-17/h1-9H,10-11H2,(H,19,21).
What are the key properties of 11-phenyl-3,4-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,6-dione?
11-phenyl-3,4-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,6-dione has a molecular weight of 290.32 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-3,4-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,6-dione is sourced from PubChem (CID 21463158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).