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-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C66H78BBrN14O8 — CID 160947161

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-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

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-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 160947161) has the molecular formula C66H78BBrN14O8 and a molecular weight of 1286.16 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-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

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-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• PubChem CID: 160947161
• Molecular Formula: C66H78BBrN14O8
• Molecular Weight: 1286.16 g/mol
• Exact Mass: 1284.54
• 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-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• SMILES: 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)cn1.Cn1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cn1
• InChI: InChI=1S/C30H33N7O3.C21H25BrN4O3.C15H20BN3O2/c1-30(2,3)40-29(39)36-12-10-22(11-13-36)37-27-23-14-19(6-9-25(23)32-17-26(27)35(5)28(37)38)20-7-8-24(31-15-20)21-16-33-34(4)18-21;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/h6-9,14-18,22H,10-13H2,1-5H3;5-6,11-12,14H,7-10H2,1-4H3;6-10H,1-5H3
• InChIKey: SVGRILDRFLPBHW-UHFFFAOYSA-N
• XLogP: 10.93
• TPSA: 218.60 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 6
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1286.16
LogP ≤ 5	10.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'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-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

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-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 160947161) 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-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

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-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

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-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is 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)cn1.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-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The InChIKey is SVGRILDRFLPBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O3.C21H25BrN4O3.C15H20BN3O2/c1-30(2,3)40-29(39)36-12-10-22(11-13-36)37-27-23-14-19(6-9-25(23)32-17-26(27)35(5)28(37)38)20-7-8-24(31-15-20)21-16-33-34(4)18-21;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/h6-9,14-18,22H,10-13H2,1-5H3;5-6,11-12,14H,7-10H2,1-4H3;6-10H,1-5H3.

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-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

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-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 1286.16 g/mol, XLogP of 10.93, 6 rotatable bonds, 0 hydrogen bond donors, and 20 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-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 160947161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).