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

C117H135BBrCl4N31O14S2 — CID 157069904

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

tert-butyl (3R)-3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-[(3R)-1-methylsulfonylpiperidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;2-(1-methyltriazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride (PubChem CID 157069904) has the molecular formula C117H135BBrCl4N31O14S2 and a molecular weight of 2496.23 g/mol. Its IUPAC name is tert-butyl (3R)-3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-[(3R)-1-methylsulfonylpiperidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;2-(1-methyltriazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-[(3R)-1-methylsulfonylpiperidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;2-(1-methyltriazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride
• PubChem CID: 157069904
• Molecular Formula: C117H135BBrCl4N31O14S2
• Molecular Weight: 2496.23 g/mol
• Exact Mass: 2491.83
• IUPAC Name: tert-butyl (3R)-3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-[(3R)-1-methylsulfonylpiperidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;2-(1-methyltriazol-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([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c2c3cc(Br)ccc3ncc21.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCCCC3)c(=O)n5C)cn2)nn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(=O)n5C)cn2)nn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n([C@@H]3CCCN(S(C)(=O)=O)C3)c(=O)n5C)cn2)nn1.Cn1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)nn1
• InChI: InChI=1S/C29H32N8O3.C25H26N8O3S.C25H25N7O.C21H25BrN4O3.C14H19BN4O2.C2H4Cl2.CH3ClO2S.ClH/c1-29(2,3)40-28(39)36-12-6-7-20(16-36)37-26-21-13-18(8-10-22(21)31-15-25(26)35(5)27(37)38)19-9-11-23(30-14-19)24-17-34(4)33-32-24;1-30-15-22(28-29-30)21-9-7-17(12-26-21)16-6-8-20-19(11-16)24-23(13-27-20)31(2)25(34)33(24)18-5-4-10-32(14-18)37(3,35)36;1-30-15-22(28-29-30)21-11-9-17(13-26-21)16-8-10-20-19(12-16)24-23(14-27-20)31(2)25(33)32(24)18-6-4-3-5-7-18;1-21(2,3)29-20(28)25-9-5-6-14(12-25)26-18-15-10-13(22)7-8-16(15)23-11-17(18)24(4)19(26)27;1-13(2)14(3,4)21-15(20-13)10-6-7-11(16-8-10)12-9-19(5)18-17-12;1-2(3)4;1-5(2,3)4;/h8-11,13-15,17,20H,6-7,12,16H2,1-5H3;6-9,11-13,15,18H,4-5,10,14H2,1-3H3;8-15,18H,3-7H2,1-2H3;7-8,10-11,14H,5-6,9,12H2,1-4H3;6-9H,1-5H3;2H,1H3;1H3;1H/t20-;18-;;14-;;;;/m11.1..../s1
• InChIKey: PMFLVLUUCFAXSU-VALHDMGRSA-N
• XLogP: 18.73
• TPSA: 482.74 Ų
• 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	18.73
H-Bond Donors ≤ 5	0
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 (3R)-3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-[(3R)-1-methylsulfonylpiperidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;2-(1-methyltriazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride?

The IUPAC name of tert-butyl (3R)-3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-[(3R)-1-methylsulfonylpiperidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;2-(1-methyltriazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride (CID 157069904) is tert-butyl (3R)-3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-[(3R)-1-methylsulfonylpiperidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;2-(1-methyltriazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride.

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

The canonical SMILES for tert-butyl (3R)-3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-[(3R)-1-methylsulfonylpiperidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;2-(1-methyltriazol-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([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c2c3cc(Br)ccc3ncc21.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCCCC3)c(=O)n5C)cn2)nn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(=O)n5C)cn2)nn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n([C@@H]3CCCN(S(C)(=O)=O)C3)c(=O)n5C)cn2)nn1.Cn1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)nn1.

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

The InChIKey is PMFLVLUUCFAXSU-VALHDMGRSA-N. The full InChI is InChI=1S/C29H32N8O3.C25H26N8O3S.C25H25N7O.C21H25BrN4O3.C14H19BN4O2.C2H4Cl2.CH3ClO2S.ClH/c1-29(2,3)40-28(39)36-12-6-7-20(16-36)37-26-21-13-18(8-10-22(21)31-15-25(26)35(5)27(37)38)19-9-11-23(30-14-19)24-17-34(4)33-32-24;1-30-15-22(28-29-30)21-9-7-17(12-26-21)16-6-8-20-19(11-16)24-23(13-27-20)31(2)25(34)33(24)18-5-4-10-32(14-18)37(3,35)36;1-30-15-22(28-29-30)21-11-9-17(13-26-21)16-8-10-20-19(12-16)24-23(14-27-20)31(2)25(33)32(24)18-6-4-3-5-7-18;1-21(2,3)29-20(28)25-9-5-6-14(12-25)26-18-15-10-13(22)7-8-16(15)23-11-17(18)24(4)19(26)27;1-13(2)14(3,4)21-15(20-13)10-6-7-11(16-8-10)12-9-19(5)18-17-12;1-2(3)4;1-5(2,3)4;/h8-11,13-15,17,20H,6-7,12,16H2,1-5H3;6-9,11-13,15,18H,4-5,10,14H2,1-3H3;8-15,18H,3-7H2,1-2H3;7-8,10-11,14H,5-6,9,12H2,1-4H3;6-9H,1-5H3;2H,1H3;1H3;1H/t20-;18-;;14-;;;;/m11.1..../s1.

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

tert-butyl (3R)-3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-[(3R)-1-methylsulfonylpiperidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;2-(1-methyltriazol-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 18.73, 13 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;1,1-dichloroethane;methanesulfonyl chloride;3-methyl-1-[(3R)-1-methylsulfonylpiperidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;2-(1-methyltriazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride is sourced from PubChem (CID 157069904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).