7H-isoindolo[2,1-b]isoquinolin-5-one

C16H11NO — CID 12787227

IUPAC7H-isoindolo[2,1-b]isoquinolin-5-one
SMILESO=c1c2ccccc2cc2n1Cc1ccccc1-2
InChIInChI=1S/C16H11NO/c18-16-14-8-4-1-5-11(14)9-15-13-7-3-2-6-12(13)10-17(15)16/h1-9H,10H2
InChIKeyWHUPHAJUIWJOFO-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.03
Rot. Bonds

About 7H-isoindolo[2,1-b]isoquinolin-5-one

7H-isoindolo[2,1-b]isoquinolin-5-one (PubChem CID 12787227) has the molecular formula C16H11NO and a molecular weight of 233.27 g/mol. Its IUPAC name is 7H-isoindolo[2,1-b]isoquinolin-5-one.

Molecular Properties

Compound Name7H-isoindolo[2,1-b]isoquinolin-5-one
PubChem CID12787227
Molecular FormulaC16H11NO
Molecular Weight233.27 g/mol
Exact Mass233.08
IUPAC Name7H-isoindolo[2,1-b]isoquinolin-5-one
SMILESO=c1c2ccccc2cc2n1Cc1ccccc1-2
InChIInChI=1S/C16H11NO/c18-16-14-8-4-1-5-11(14)9-15-13-7-3-2-6-12(13)10-17(15)16/h1-9H,10H2
InChIKeyWHUPHAJUIWJOFO-UHFFFAOYSA-N
XLogP3.03
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7H-isoindolo[2,1-b]isoquinolin-5-one?
The IUPAC name of 7H-isoindolo[2,1-b]isoquinolin-5-one (CID 12787227) is 7H-isoindolo[2,1-b]isoquinolin-5-one.
What is the SMILES notation for 7H-isoindolo[2,1-b]isoquinolin-5-one?
The canonical SMILES for 7H-isoindolo[2,1-b]isoquinolin-5-one is O=c1c2ccccc2cc2n1Cc1ccccc1-2.
What is the InChIKey of 7H-isoindolo[2,1-b]isoquinolin-5-one?
The InChIKey is WHUPHAJUIWJOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO/c18-16-14-8-4-1-5-11(14)9-15-13-7-3-2-6-12(13)10-17(15)16/h1-9H,10H2.
What are the key properties of 7H-isoindolo[2,1-b]isoquinolin-5-one?
7H-isoindolo[2,1-b]isoquinolin-5-one has a molecular weight of 233.27 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-isoindolo[2,1-b]isoquinolin-5-one is sourced from PubChem (CID 12787227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).