benzimidazolo[4,5-f]isoquinolin-8-one

C14H7N3O — CID 22574155

IUPACbenzimidazolo[4,5-f]isoquinolin-8-one
SMILESO=C1N=CC=c2c1ccc1ccc3c(c21)N=CN=3
InChIInChI=1S/C14H7N3O/c18-14-10-3-1-8-2-4-11-13(17-7-16-11)12(8)9(10)5-6-15-14/h1-7H
InChIKeyVVXPDQQHCJXULC-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.14
Rot. Bonds

About benzimidazolo[4,5-f]isoquinolin-8-one

benzimidazolo[4,5-f]isoquinolin-8-one (PubChem CID 22574155) has the molecular formula C14H7N3O and a molecular weight of 233.23 g/mol. Its IUPAC name is benzimidazolo[4,5-f]isoquinolin-8-one.

Molecular Properties

Compound Namebenzimidazolo[4,5-f]isoquinolin-8-one
PubChem CID22574155
Molecular FormulaC14H7N3O
Molecular Weight233.23 g/mol
Exact Mass233.06
IUPAC Namebenzimidazolo[4,5-f]isoquinolin-8-one
SMILESO=C1N=CC=c2c1ccc1ccc3c(c21)N=CN=3
InChIInChI=1S/C14H7N3O/c18-14-10-3-1-8-2-4-11-13(17-7-16-11)12(8)9(10)5-6-15-14/h1-7H
InChIKeyVVXPDQQHCJXULC-UHFFFAOYSA-N
XLogP1.14
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzimidazolo[4,5-f]isoquinolin-8-one?
The IUPAC name of benzimidazolo[4,5-f]isoquinolin-8-one (CID 22574155) is benzimidazolo[4,5-f]isoquinolin-8-one.
What is the SMILES notation for benzimidazolo[4,5-f]isoquinolin-8-one?
The canonical SMILES for benzimidazolo[4,5-f]isoquinolin-8-one is O=C1N=CC=c2c1ccc1ccc3c(c21)N=CN=3.
What is the InChIKey of benzimidazolo[4,5-f]isoquinolin-8-one?
The InChIKey is VVXPDQQHCJXULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7N3O/c18-14-10-3-1-8-2-4-11-13(17-7-16-11)12(8)9(10)5-6-15-14/h1-7H.
What are the key properties of benzimidazolo[4,5-f]isoquinolin-8-one?
benzimidazolo[4,5-f]isoquinolin-8-one has a molecular weight of 233.23 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazolo[4,5-f]isoquinolin-8-one is sourced from PubChem (CID 22574155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).