6-bromo-4-chloro-3-nitroquinoline;tert-butyl 3-aminoazetidine-1-carboxylate;tert-butyl 3-[(3-amino-6-bromoquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[(6-bromo-3-nitroquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]azetidine-1-carboxylate;iodomethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride

C132H153BBr5Cl2IN30O21 — CID 158454223

About 6-bromo-4-chloro-3-nitroquinoline;tert-butyl 3-aminoazetidine-1-carboxylate;tert-butyl 3-[(3-amino-6-bromoquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[(6-bromo-3-nitroquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]azetidine-1-carboxylate;iodomethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride

6-bromo-4-chloro-3-nitroquinoline;tert-butyl 3-aminoazetidine-1-carboxylate;tert-butyl 3-[(3-amino-6-bromoquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[(6-bromo-3-nitroquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]azetidine-1-carboxylate;iodomethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride (PubChem CID 158454223) has the molecular formula C132H153BBr5Cl2IN30O21 and a molecular weight of 3104.01 g/mol. Its IUPAC name is 6-bromo-4-chloro-3-nitroquinoline;tert-butyl 3-aminoazetidine-1-carboxylate;tert-butyl 3-[(3-amino-6-bromoquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[(6-bromo-3-nitroquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]azetidine-1-carboxylate;iodomethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride.

Molecular Properties

• Compound Name: 6-bromo-4-chloro-3-nitroquinoline;tert-butyl 3-aminoazetidine-1-carboxylate;tert-butyl 3-[(3-amino-6-bromoquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[(6-bromo-3-nitroquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]azetidine-1-carboxylate;iodomethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride
• PubChem CID: 158454223
• Molecular Formula: C132H153BBr5Cl2IN30O21
• Molecular Weight: 3104.01 g/mol
• Exact Mass: 3096.63
• IUPAC Name: 6-bromo-4-chloro-3-nitroquinoline;tert-butyl 3-aminoazetidine-1-carboxylate;tert-butyl 3-[(3-amino-6-bromoquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[(6-bromo-3-nitroquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]azetidine-1-carboxylate;iodomethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CC(N)C1.CC(C)(C)OC(=O)N1CC(Nc2c(N)cnc3ccc(Br)cc23)C1.CC(C)(C)OC(=O)N1CC(Nc2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1.CC(C)(C)OC(=O)N1CC(n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)C1.CI.Cl.Cn1c(=O)n(C2CN(C(=O)OC(C)(C)C)C2)c2c3cc(Br)ccc3ncc21.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CN(C(=O)OC(C)(C)C)C3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cn1.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl
• InChI: InChI=1S/C28H29N7O3.C19H21BrN4O3.C18H19BrN4O3.C17H19BrN4O4.C17H21BrN4O2.C15H20BN3O2.C9H4BrClN2O2.C8H16N2O2.CH3I.ClH/c1-28(2,3)38-27(37)34-15-20(16-34)35-25-21-10-17(6-9-23(21)30-13-24(25)33(5)26(35)36)18-7-8-22(29-11-18)19-12-31-32(4)14-19;1-19(2,3)27-18(26)23-9-12(10-23)24-16-13-7-11(20)5-6-14(13)21-8-15(16)22(4)17(24)25;1-18(2,3)26-17(25)22-8-11(9-22)23-15-12-6-10(19)4-5-13(12)20-7-14(15)21-16(23)24;1-17(2,3)26-16(23)21-8-11(9-21)20-15-12-6-10(18)4-5-13(12)19-7-14(15)22(24)25;1-17(2,3)24-16(23)22-8-11(9-22)21-15-12-6-10(18)4-5-14(12)20-7-13(15)19;1-14(2)15(3,4)21-16(20-14)12-6-7-13(17-9-12)11-8-18-19(5)10-11;10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15;1-8(2,3)12-7(11)10-4-6(9)5-10;1-2;/h6-14,20H,15-16H2,1-5H3;5-8,12H,9-10H2,1-4H3;4-7,11H,8-9H2,1-3H3,(H,21,24);4-7,11H,8-9H2,1-3H3,(H,19,20);4-7,11H,8-9,19H2,1-3H3,(H,20,21);6-10H,1-5H3;1-4H;6H,4-5,9H2,1-3H3;1H3;1H
• InChIKey: PSCUADRDJSHBGT-UHFFFAOYSA-N
• XLogP: 25.94
• TPSA: 588.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 42
• Rotatable Bonds: 13
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3104.01
LogP ≤ 5	25.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-3-nitroquinoline;tert-butyl 3-aminoazetidine-1-carboxylate;tert-butyl 3-[(3-amino-6-bromoquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[(6-bromo-3-nitroquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]azetidine-1-carboxylate;iodomethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride?

The IUPAC name of 6-bromo-4-chloro-3-nitroquinoline;tert-butyl 3-aminoazetidine-1-carboxylate;tert-butyl 3-[(3-amino-6-bromoquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[(6-bromo-3-nitroquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]azetidine-1-carboxylate;iodomethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride (CID 158454223) is 6-bromo-4-chloro-3-nitroquinoline;tert-butyl 3-aminoazetidine-1-carboxylate;tert-butyl 3-[(3-amino-6-bromoquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[(6-bromo-3-nitroquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]azetidine-1-carboxylate;iodomethane;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 6-bromo-4-chloro-3-nitroquinoline;tert-butyl 3-aminoazetidine-1-carboxylate;tert-butyl 3-[(3-amino-6-bromoquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[(6-bromo-3-nitroquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]azetidine-1-carboxylate;iodomethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride?

The canonical SMILES for 6-bromo-4-chloro-3-nitroquinoline;tert-butyl 3-aminoazetidine-1-carboxylate;tert-butyl 3-[(3-amino-6-bromoquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[(6-bromo-3-nitroquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]azetidine-1-carboxylate;iodomethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride is CC(C)(C)OC(=O)N1CC(N)C1.CC(C)(C)OC(=O)N1CC(Nc2c(N)cnc3ccc(Br)cc23)C1.CC(C)(C)OC(=O)N1CC(Nc2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1.CC(C)(C)OC(=O)N1CC(n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)C1.CI.Cl.Cn1c(=O)n(C2CN(C(=O)OC(C)(C)C)C2)c2c3cc(Br)ccc3ncc21.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CN(C(=O)OC(C)(C)C)C3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cn1.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl.

What is the InChIKey of 6-bromo-4-chloro-3-nitroquinoline;tert-butyl 3-aminoazetidine-1-carboxylate;tert-butyl 3-[(3-amino-6-bromoquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[(6-bromo-3-nitroquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]azetidine-1-carboxylate;iodomethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride?

The InChIKey is PSCUADRDJSHBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O3.C19H21BrN4O3.C18H19BrN4O3.C17H19BrN4O4.C17H21BrN4O2.C15H20BN3O2.C9H4BrClN2O2.C8H16N2O2.CH3I.ClH/c1-28(2,3)38-27(37)34-15-20(16-34)35-25-21-10-17(6-9-23(21)30-13-24(25)33(5)26(35)36)18-7-8-22(29-11-18)19-12-31-32(4)14-19;1-19(2,3)27-18(26)23-9-12(10-23)24-16-13-7-11(20)5-6-14(13)21-8-15(16)22(4)17(24)25;1-18(2,3)26-17(25)22-8-11(9-22)23-15-12-6-10(19)4-5-13(12)20-7-14(15)21-16(23)24;1-17(2,3)26-16(23)21-8-11(9-21)20-15-12-6-10(18)4-5-13(12)19-7-14(15)22(24)25;1-17(2,3)24-16(23)22-8-11(9-22)21-15-12-6-10(18)4-5-14(12)20-7-13(15)19;1-14(2)15(3,4)21-16(20-14)12-6-7-13(17-9-12)11-8-18-19(5)10-11;10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15;1-8(2,3)12-7(11)10-4-6(9)5-10;1-2;/h6-14,20H,15-16H2,1-5H3;5-8,12H,9-10H2,1-4H3;4-7,11H,8-9H2,1-3H3,(H,21,24);4-7,11H,8-9H2,1-3H3,(H,19,20);4-7,11H,8-9,19H2,1-3H3,(H,20,21);6-10H,1-5H3;1-4H;6H,4-5,9H2,1-3H3;1H3;1H.

What are the key properties of 6-bromo-4-chloro-3-nitroquinoline;tert-butyl 3-aminoazetidine-1-carboxylate;tert-butyl 3-[(3-amino-6-bromoquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[(6-bromo-3-nitroquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]azetidine-1-carboxylate;iodomethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride?

6-bromo-4-chloro-3-nitroquinoline;tert-butyl 3-aminoazetidine-1-carboxylate;tert-butyl 3-[(3-amino-6-bromoquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[(6-bromo-3-nitroquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]azetidine-1-carboxylate;iodomethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride has a molecular weight of 3104.01 g/mol, XLogP of 25.94, 13 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-chloro-3-nitroquinoline;tert-butyl 3-aminoazetidine-1-carboxylate;tert-butyl 3-[(3-amino-6-bromoquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[(6-bromo-3-nitroquinolin-4-yl)amino]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)azetidine-1-carboxylate;tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]azetidine-1-carboxylate;iodomethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride is sourced from PubChem (CID 158454223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).