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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Related Compounds

8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 138490581
8-chloro-1-[(4R)-3,3-dimethyloxan-4-yl]-3-methylimidazo[4,5-c]cinnolin-2-one
CID 138490734
8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 163706065
6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 175844798
8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 170648295
8-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1-[(1R,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]cinnolin-2-one
CID 138494829
3-amino-2-methyl-1-(oxetan-3-yl)quinolin-4-one
CID 175271959
8-[6-[2-[(3S)-3-(difluoromethoxy)pyrrolidin-1-yl]ethoxymethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 170648191
2-(1-chloroethyl)-3-(oxan-3-yl)quinazolin-4-one
CID 63361358
7-fluoro-8-[6-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxymethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 176637598
(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-quinolin-4-ylmethanone
CID 171941825
1-methyl-3-[3-[(1-methylbenzimidazol-2-yl)amino]cyclobutyl]imidazo[4,5-b]pyridin-2-one
CID 86694221

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).