5H-isoindolo[2,3-b]isoquinolin-7-one

C16H11NO — CID 11817150

IUPAC5H-isoindolo[2,3-b]isoquinolin-7-one
SMILESO=C1c2ccccc2C2=Cc3ccccc3CN12
InChIInChI=1S/C16H11NO/c18-16-14-8-4-3-7-13(14)15-9-11-5-1-2-6-12(11)10-17(15)16/h1-9H,10H2
InChIKeyXPACJQYUBCNLJP-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.15
Rot. Bonds

About 5H-isoindolo[2,3-b]isoquinolin-7-one

5H-isoindolo[2,3-b]isoquinolin-7-one (PubChem CID 11817150) has the molecular formula C16H11NO and a molecular weight of 233.27 g/mol. Its IUPAC name is 5H-isoindolo[2,3-b]isoquinolin-7-one.

Molecular Properties

Compound Name5H-isoindolo[2,3-b]isoquinolin-7-one
PubChem CID11817150
Molecular FormulaC16H11NO
Molecular Weight233.27 g/mol
Exact Mass233.08
IUPAC Name5H-isoindolo[2,3-b]isoquinolin-7-one
SMILESO=C1c2ccccc2C2=Cc3ccccc3CN12
InChIInChI=1S/C16H11NO/c18-16-14-8-4-3-7-13(14)15-9-11-5-1-2-6-12(11)10-17(15)16/h1-9H,10H2
InChIKeyXPACJQYUBCNLJP-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5H-isoindolo[2,3-b]isoquinolin-7-one?
The IUPAC name of 5H-isoindolo[2,3-b]isoquinolin-7-one (CID 11817150) is 5H-isoindolo[2,3-b]isoquinolin-7-one.
What is the SMILES notation for 5H-isoindolo[2,3-b]isoquinolin-7-one?
The canonical SMILES for 5H-isoindolo[2,3-b]isoquinolin-7-one is O=C1c2ccccc2C2=Cc3ccccc3CN12.
What is the InChIKey of 5H-isoindolo[2,3-b]isoquinolin-7-one?
The InChIKey is XPACJQYUBCNLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO/c18-16-14-8-4-3-7-13(14)15-9-11-5-1-2-6-12(11)10-17(15)16/h1-9H,10H2.
What are the key properties of 5H-isoindolo[2,3-b]isoquinolin-7-one?
5H-isoindolo[2,3-b]isoquinolin-7-one has a molecular weight of 233.27 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-isoindolo[2,3-b]isoquinolin-7-one is sourced from PubChem (CID 11817150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).