3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one

C25H26N8O3S — CID 118101775

IUPAC3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCN(S(C)(=O)=O)CC3)c(=O)n5C)cn2)nn1
InChIInChI=1S/C25H26N8O3S/c1-30-15-22(28-29-30)21-7-5-17(13-26-21)16-4-6-20-19(12-16)24-23(14-27-20)31(2)25(34)33(24)18-8-10-32(11-9-18)37(3,35)36/h4-7,12-15,18H,8-11H2,1-3H3
InChIKeyNLYVZOHTEFTIMI-UHFFFAOYSA-N
MW518.60 g/mol
LogP2.34
Rot. Bonds4

About 3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one

3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 118101775) has the molecular formula C25H26N8O3S and a molecular weight of 518.60 g/mol. Its IUPAC name is 3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
PubChem CID118101775
Molecular FormulaC25H26N8O3S
Molecular Weight518.60 g/mol
Exact Mass518.18
IUPAC Name3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCN(S(C)(=O)=O)CC3)c(=O)n5C)cn2)nn1
InChIInChI=1S/C25H26N8O3S/c1-30-15-22(28-29-30)21-7-5-17(13-26-21)16-4-6-20-19(12-16)24-23(14-27-20)31(2)25(34)33(24)18-8-10-32(11-9-18)37(3,35)36/h4-7,12-15,18H,8-11H2,1-3H3
InChIKeyNLYVZOHTEFTIMI-UHFFFAOYSA-N
XLogP2.34
TPSA120.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.60
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

methanesulfonyl chloride;3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-(1-methylsulfonylpiperidin-4-yl)imidazo[4,5-c]quinolin-2-one;3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one
CID 160621444
tert-butyl 3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 118101778
3-methyl-1-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101862
3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
CID 118101881
3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101820
1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101795
tert-butyl (3R)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]pyrrolidine-1-carboxylate;1-cyclopentyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;deuterioethane;methane;methanesulfonyl chloride;3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]quinolin-2-one;hydrochloride
CID 159241203
3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-pyrrolidin-3-ylimidazo[4,5-c]quinolin-2-one
CID 118101793
1-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101866
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one
CID 123853510
1-cyclobutyl-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;2,2,2-trifluoroacetic acid
CID 118523405
8-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 144847191

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (CID 118101775) is 3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one is Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCN(S(C)(=O)=O)CC3)c(=O)n5C)cn2)nn1.
What is the InChIKey of 3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is NLYVZOHTEFTIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O3S/c1-30-15-22(28-29-30)21-7-5-17(13-26-21)16-4-6-20-19(12-16)24-23(14-27-20)31(2)25(34)33(24)18-8-10-32(11-9-18)37(3,35)36/h4-7,12-15,18H,8-11H2,1-3H3.
What are the key properties of 3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 518.60 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118101775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).