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

C52H55ClN14O6S2 — CID 160621444

About 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

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 (PubChem CID 160621444) has the molecular formula C52H55ClN14O6S2 and a molecular weight of 1071.69 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160621444
• Molecular Formula: C52H55ClN14O6S2
• Molecular Weight: 1071.69 g/mol
• Exact Mass: 1070.36
• IUPAC Name: 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
• SMILES: CS(=O)(=O)Cl.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCN(S(C)(=O)=O)CC3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCNCC3)c(=O)n5C)cn2)cn1
• InChI: InChI=1S/C26H27N7O3S.C25H25N7O.CH3ClO2S/c1-30-16-19(14-29-30)22-6-5-18(13-27-22)17-4-7-23-21(12-17)25-24(15-28-23)31(2)26(34)33(25)20-8-10-32(11-9-20)37(3,35)36;1-30-15-18(13-29-30)21-5-4-17(12-27-21)16-3-6-22-20(11-16)24-23(14-28-22)31(2)25(33)32(24)19-7-9-26-10-8-19;1-5(2,3)4/h4-7,12-16,20H,8-11H2,1-3H3;3-6,11-15,19,26H,7-10H2,1-2H3;1H3
• InChIKey: RGTGDGXTFDYAMS-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 224.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1071.69
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CS(=O)(=O)Cl.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCN(S(C)(=O)=O)CC3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCNCC3)c(=O)n5C)cn2)cn1.

What is the InChIKey of 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?

The InChIKey is RGTGDGXTFDYAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3S.C25H25N7O.CH3ClO2S/c1-30-16-19(14-29-30)22-6-5-18(13-27-22)17-4-7-23-21(12-17)25-24(15-28-23)31(2)26(34)33(25)20-8-10-32(11-9-20)37(3,35)36;1-30-15-18(13-29-30)21-5-4-17(12-27-21)16-3-6-22-20(11-16)24-23(14-28-22)31(2)25(33)32(24)19-7-9-26-10-8-19;1-5(2,3)4/h4-7,12-16,20H,8-11H2,1-3H3;3-6,11-15,19,26H,7-10H2,1-2H3;1H3.

What are the key properties of 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?

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 has a molecular weight of 1071.69 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 160621444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).