1-(7-hydroxyimidazo[2,1-a]isoquinolin-3-yl)ethanone

C13H10N2O2 — CID 115035417

IUPAC1-(7-hydroxyimidazo[2,1-a]isoquinolin-3-yl)ethanone
SMILESCC(=O)c1cnc2c3cccc(O)c3ccn12
InChIInChI=1S/C13H10N2O2/c1-8(16)11-7-14-13-10-3-2-4-12(17)9(10)5-6-15(11)13/h2-7,17H,1H3
InChIKeyVNHJDDRESJNKPG-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.40
Rot. Bonds1

About 1-(7-hydroxyimidazo[2,1-a]isoquinolin-3-yl)ethanone

1-(7-hydroxyimidazo[2,1-a]isoquinolin-3-yl)ethanone (PubChem CID 115035417) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-(7-hydroxyimidazo[2,1-a]isoquinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-hydroxyimidazo[2,1-a]isoquinolin-3-yl)ethanone
PubChem CID115035417
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name1-(7-hydroxyimidazo[2,1-a]isoquinolin-3-yl)ethanone
SMILESCC(=O)c1cnc2c3cccc(O)c3ccn12
InChIInChI=1S/C13H10N2O2/c1-8(16)11-7-14-13-10-3-2-4-12(17)9(10)5-6-15(11)13/h2-7,17H,1H3
InChIKeyVNHJDDRESJNKPG-UHFFFAOYSA-N
XLogP2.40
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxyimidazo[2,1-a]isoquinolin-3-yl)ethanone?
The IUPAC name of 1-(7-hydroxyimidazo[2,1-a]isoquinolin-3-yl)ethanone (CID 115035417) is 1-(7-hydroxyimidazo[2,1-a]isoquinolin-3-yl)ethanone.
What is the SMILES notation for 1-(7-hydroxyimidazo[2,1-a]isoquinolin-3-yl)ethanone?
The canonical SMILES for 1-(7-hydroxyimidazo[2,1-a]isoquinolin-3-yl)ethanone is CC(=O)c1cnc2c3cccc(O)c3ccn12.
What is the InChIKey of 1-(7-hydroxyimidazo[2,1-a]isoquinolin-3-yl)ethanone?
The InChIKey is VNHJDDRESJNKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-8(16)11-7-14-13-10-3-2-4-12(17)9(10)5-6-15(11)13/h2-7,17H,1H3.
What are the key properties of 1-(7-hydroxyimidazo[2,1-a]isoquinolin-3-yl)ethanone?
1-(7-hydroxyimidazo[2,1-a]isoquinolin-3-yl)ethanone has a molecular weight of 226.23 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxyimidazo[2,1-a]isoquinolin-3-yl)ethanone is sourced from PubChem (CID 115035417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).