3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]cinnolin-2-one

C13H12N4O2 — CID 175784064

IUPAC3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]cinnolin-2-one
SMILESCn1c(=O)n(C2COC2)c2c3ccccc3nnc21
InChIInChI=1S/C13H12N4O2/c1-16-12-11(17(13(16)18)8-6-19-7-8)9-4-2-3-5-10(9)14-15-12/h2-5,8H,6-7H2,1H3
InChIKeyIGPJVPJYRQRDCA-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.85
Rot. Bonds1

About 3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]cinnolin-2-one

3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]cinnolin-2-one (PubChem CID 175784064) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]cinnolin-2-one.

Molecular Properties

Compound Name3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]cinnolin-2-one
PubChem CID175784064
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]cinnolin-2-one
SMILESCn1c(=O)n(C2COC2)c2c3ccccc3nnc21
InChIInChI=1S/C13H12N4O2/c1-16-12-11(17(13(16)18)8-6-19-7-8)9-4-2-3-5-10(9)14-15-12/h2-5,8H,6-7H2,1H3
InChIKeyIGPJVPJYRQRDCA-UHFFFAOYSA-N
XLogP0.85
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]cinnolin-2-one?
The IUPAC name of 3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]cinnolin-2-one (CID 175784064) is 3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]cinnolin-2-one.
What is the SMILES notation for 3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]cinnolin-2-one?
The canonical SMILES for 3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]cinnolin-2-one is Cn1c(=O)n(C2COC2)c2c3ccccc3nnc21.
What is the InChIKey of 3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]cinnolin-2-one?
The InChIKey is IGPJVPJYRQRDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-16-12-11(17(13(16)18)8-6-19-7-8)9-4-2-3-5-10(9)14-15-12/h2-5,8H,6-7H2,1H3.
What are the key properties of 3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]cinnolin-2-one?
3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]cinnolin-2-one has a molecular weight of 256.26 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 175784064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).