6,13a-dihydro-5H-isoquinolino[1,2-b][1,3]benzoselenazin-8-one

C16H13NOSe — CID 156775583

IUPAC6,13a-dihydro-5H-isoquinolino[1,2-b][1,3]benzoselenazin-8-one
SMILESO=C1c2ccccc2[Se]C2c3ccccc3CCN12
InChIInChI=1S/C16H13NOSe/c18-15-13-7-3-4-8-14(13)19-16-12-6-2-1-5-11(12)9-10-17(15)16/h1-8,16H,9-10H2
InChIKeyDYLTZIGLVBGNCX-UHFFFAOYSA-N
MW314.25 g/mol
LogP1.73
Rot. Bonds

About 6,13a-dihydro-5H-isoquinolino[1,2-b][1,3]benzoselenazin-8-one

6,13a-dihydro-5H-isoquinolino[1,2-b][1,3]benzoselenazin-8-one (PubChem CID 156775583) has the molecular formula C16H13NOSe and a molecular weight of 314.25 g/mol. Its IUPAC name is 6,13a-dihydro-5H-isoquinolino[1,2-b][1,3]benzoselenazin-8-one.

Molecular Properties

Compound Name6,13a-dihydro-5H-isoquinolino[1,2-b][1,3]benzoselenazin-8-one
PubChem CID156775583
Molecular FormulaC16H13NOSe
Molecular Weight314.25 g/mol
Exact Mass315.02
IUPAC Name6,13a-dihydro-5H-isoquinolino[1,2-b][1,3]benzoselenazin-8-one
SMILESO=C1c2ccccc2[Se]C2c3ccccc3CCN12
InChIInChI=1S/C16H13NOSe/c18-15-13-7-3-4-8-14(13)19-16-12-6-2-1-5-11(12)9-10-17(15)16/h1-8,16H,9-10H2
InChIKeyDYLTZIGLVBGNCX-UHFFFAOYSA-N
XLogP1.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,13a-dihydro-5H-isoquinolino[1,2-b][1,3]benzoselenazin-8-one?
The IUPAC name of 6,13a-dihydro-5H-isoquinolino[1,2-b][1,3]benzoselenazin-8-one (CID 156775583) is 6,13a-dihydro-5H-isoquinolino[1,2-b][1,3]benzoselenazin-8-one.
What is the SMILES notation for 6,13a-dihydro-5H-isoquinolino[1,2-b][1,3]benzoselenazin-8-one?
The canonical SMILES for 6,13a-dihydro-5H-isoquinolino[1,2-b][1,3]benzoselenazin-8-one is O=C1c2ccccc2[Se]C2c3ccccc3CCN12.
What is the InChIKey of 6,13a-dihydro-5H-isoquinolino[1,2-b][1,3]benzoselenazin-8-one?
The InChIKey is DYLTZIGLVBGNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOSe/c18-15-13-7-3-4-8-14(13)19-16-12-6-2-1-5-11(12)9-10-17(15)16/h1-8,16H,9-10H2.
What are the key properties of 6,13a-dihydro-5H-isoquinolino[1,2-b][1,3]benzoselenazin-8-one?
6,13a-dihydro-5H-isoquinolino[1,2-b][1,3]benzoselenazin-8-one has a molecular weight of 314.25 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13a-dihydro-5H-isoquinolino[1,2-b][1,3]benzoselenazin-8-one is sourced from PubChem (CID 156775583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).