tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride

C117H135BBrCl4N31O14S2 — CID 157253855

About tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride

tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride (PubChem CID 157253855) has the molecular formula C117H135BBrCl4N31O14S2 and a molecular weight of 2496.23 g/mol. Its IUPAC name is tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride
• PubChem CID: 157253855
• Molecular Formula: C117H135BBrCl4N31O14S2
• Molecular Weight: 2496.23 g/mol
• Exact Mass: 2491.83
• IUPAC Name: tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride
• SMILES: CC(Cl)Cl.CS(=O)(=O)Cl.Cl.Cn1c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c2c3cc(Br)ccc3ncc21.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)n5C)cn2)nn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCN(S(C)(=O)=O)CC3)c(=O)n5C)cn2)nn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCNCC3)c(=O)n5C)cn2)nn1.Cn1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cn1
• InChI: InChI=1S/C29H32N8O3.C25H26N8O3S.C24H24N8O.C21H25BrN4O3.C15H20BN3O2.C2H4Cl2.CH3ClO2S.ClH/c1-29(2,3)40-28(39)36-12-10-20(11-13-36)37-26-21-14-18(6-8-22(21)31-16-25(26)35(5)27(37)38)19-7-9-23(30-15-19)24-17-34(4)33-32-24;1-30-15-22(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;1-30-14-21(28-29-30)20-6-4-16(12-26-20)15-3-5-19-18(11-15)23-22(13-27-19)31(2)24(33)32(23)17-7-9-25-10-8-17;1-21(2,3)29-20(28)25-9-7-14(8-10-25)26-18-15-11-13(22)5-6-16(15)23-12-17(18)24(4)19(26)27;1-14(2)15(3,4)21-16(20-14)12-6-7-13(17-9-12)11-8-18-19(5)10-11;1-2(3)4;1-5(2,3)4;/h6-9,14-17,20H,10-13H2,1-5H3;4-7,12-15,18H,8-11H2,1-3H3;3-6,11-14,17,25H,7-10H2,1-2H3;5-6,11-12,14H,7-10H2,1-4H3;6-10H,1-5H3;2H,1H3;1H3;1H
• InChIKey: VPALEMJOVIWICU-UHFFFAOYSA-N
• XLogP: 17.75
• TPSA: 481.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 42
• Rotatable Bonds: 13
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2496.23
LogP ≤ 5	17.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride?

The IUPAC name of tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride (CID 157253855) is tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride.

What is the SMILES notation for tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride?

The canonical SMILES for tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride is CC(Cl)Cl.CS(=O)(=O)Cl.Cl.Cn1c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c2c3cc(Br)ccc3ncc21.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)n5C)cn2)nn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCN(S(C)(=O)=O)CC3)c(=O)n5C)cn2)nn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCNCC3)c(=O)n5C)cn2)nn1.Cn1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cn1.

What is the InChIKey of tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride?

The InChIKey is VPALEMJOVIWICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O3.C25H26N8O3S.C24H24N8O.C21H25BrN4O3.C15H20BN3O2.C2H4Cl2.CH3ClO2S.ClH/c1-29(2,3)40-28(39)36-12-10-20(11-13-36)37-26-21-14-18(6-8-22(21)31-16-25(26)35(5)27(37)38)19-7-9-23(30-15-19)24-17-34(4)33-32-24;1-30-15-22(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;1-30-14-21(28-29-30)20-6-4-16(12-26-20)15-3-5-19-18(11-15)23-22(13-27-19)31(2)24(33)32(23)17-7-9-25-10-8-17;1-21(2,3)29-20(28)25-9-7-14(8-10-25)26-18-15-11-13(22)5-6-16(15)23-12-17(18)24(4)19(26)27;1-14(2)15(3,4)21-16(20-14)12-6-7-13(17-9-12)11-8-18-19(5)10-11;1-2(3)4;1-5(2,3)4;/h6-9,14-17,20H,10-13H2,1-5H3;4-7,12-15,18H,8-11H2,1-3H3;3-6,11-14,17,25H,7-10H2,1-2H3;5-6,11-12,14H,7-10H2,1-4H3;6-10H,1-5H3;2H,1H3;1H3;1H.

What are the key properties of tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride?

tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride has a molecular weight of 2496.23 g/mol, XLogP of 17.75, 13 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride is sourced from PubChem (CID 157253855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).