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

C144H177BBr5Cl2IN30O21 — CID 160565813

About 6-bromo-4-chloro-3-nitroquinoline;tert-butyl 4-[(3-amino-6-bromoquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[(6-bromo-3-nitroquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-(8-bromo-2-oxo-3H-imidazo[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;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 4-[(3-amino-6-bromoquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[(6-bromo-3-nitroquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-(8-bromo-2-oxo-3H-imidazo[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;iodomethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride (PubChem CID 160565813) has the molecular formula C144H177BBr5Cl2IN30O21 and a molecular weight of 3272.33 g/mol. Its IUPAC name is 6-bromo-4-chloro-3-nitroquinoline;tert-butyl 4-[(3-amino-6-bromoquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[(6-bromo-3-nitroquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-(8-bromo-2-oxo-3H-imidazo[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;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 4-[(3-amino-6-bromoquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[(6-bromo-3-nitroquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-(8-bromo-2-oxo-3H-imidazo[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;iodomethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride
• PubChem CID: 160565813
• Molecular Formula: C144H177BBr5Cl2IN30O21
• Molecular Weight: 3272.33 g/mol
• Exact Mass: 3264.81
• IUPAC Name: 6-bromo-4-chloro-3-nitroquinoline;tert-butyl 4-[(3-amino-6-bromoquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[(6-bromo-3-nitroquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-(8-bromo-2-oxo-3H-imidazo[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;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)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(Nc2c(N)cnc3ccc(Br)cc23)CC1.CC(C)(C)OC(=O)N1CCC(Nc2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1.CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)CC1.CI.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)cn1.Cn1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cn1.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl
• InChI: InChI=1S/C30H33N7O3.C21H25BrN4O3.C20H23BrN4O3.C19H23BrN4O4.C19H25BrN4O2.C15H20BN3O2.C10H20N2O2.C9H4BrClN2O2.CH3I.ClH/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;1-20(2,3)28-19(27)24-8-6-13(7-9-24)25-17-14-10-12(21)4-5-15(14)22-11-16(17)23-18(25)26;1-19(2,3)28-18(25)23-8-6-13(7-9-23)22-17-14-10-12(20)4-5-15(14)21-11-16(17)24(26)27;1-19(2,3)26-18(25)24-8-6-13(7-9-24)23-17-14-10-12(20)4-5-16(14)22-11-15(17)21;1-14(2)15(3,4)21-16(20-14)12-6-7-13(17-9-12)11-8-18-19(5)10-11;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15;1-2;/h6-9,14-18,22H,10-13H2,1-5H3;5-6,11-12,14H,7-10H2,1-4H3;4-5,10-11,13H,6-9H2,1-3H3,(H,23,26);4-5,10-11,13H,6-9H2,1-3H3,(H,21,22);4-5,10-11,13H,6-9,21H2,1-3H3,(H,22,23);6-10H,1-5H3;8H,4-7,11H2,1-3H3;1-4H;1H3;1H
• InChIKey: QBJPOICODOWLSQ-UHFFFAOYSA-N
• XLogP: 30.62
• TPSA: 588.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 42
• Rotatable Bonds: 13
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3272.33
LogP ≤ 5	30.62
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 4-[(3-amino-6-bromoquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[(6-bromo-3-nitroquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-(8-bromo-2-oxo-3H-imidazo[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;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 4-[(3-amino-6-bromoquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[(6-bromo-3-nitroquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-(8-bromo-2-oxo-3H-imidazo[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;iodomethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride (CID 160565813) is 6-bromo-4-chloro-3-nitroquinoline;tert-butyl 4-[(3-amino-6-bromoquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[(6-bromo-3-nitroquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-(8-bromo-2-oxo-3H-imidazo[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;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 4-[(3-amino-6-bromoquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[(6-bromo-3-nitroquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-(8-bromo-2-oxo-3H-imidazo[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;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 4-[(3-amino-6-bromoquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[(6-bromo-3-nitroquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-(8-bromo-2-oxo-3H-imidazo[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;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)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(Nc2c(N)cnc3ccc(Br)cc23)CC1.CC(C)(C)OC(=O)N1CCC(Nc2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1.CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)CC1.CI.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)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 4-[(3-amino-6-bromoquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[(6-bromo-3-nitroquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-(8-bromo-2-oxo-3H-imidazo[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;iodomethane;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride?

The InChIKey is QBJPOICODOWLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O3.C21H25BrN4O3.C20H23BrN4O3.C19H23BrN4O4.C19H25BrN4O2.C15H20BN3O2.C10H20N2O2.C9H4BrClN2O2.CH3I.ClH/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;1-20(2,3)28-19(27)24-8-6-13(7-9-24)25-17-14-10-12(21)4-5-15(14)22-11-16(17)23-18(25)26;1-19(2,3)28-18(25)23-8-6-13(7-9-23)22-17-14-10-12(20)4-5-15(14)21-11-16(17)24(26)27;1-19(2,3)26-18(25)24-8-6-13(7-9-24)23-17-14-10-12(20)4-5-16(14)22-11-15(17)21;1-14(2)15(3,4)21-16(20-14)12-6-7-13(17-9-12)11-8-18-19(5)10-11;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15;1-2;/h6-9,14-18,22H,10-13H2,1-5H3;5-6,11-12,14H,7-10H2,1-4H3;4-5,10-11,13H,6-9H2,1-3H3,(H,23,26);4-5,10-11,13H,6-9H2,1-3H3,(H,21,22);4-5,10-11,13H,6-9,21H2,1-3H3,(H,22,23);6-10H,1-5H3;8H,4-7,11H2,1-3H3;1-4H;1H3;1H.

What are the key properties of 6-bromo-4-chloro-3-nitroquinoline;tert-butyl 4-[(3-amino-6-bromoquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[(6-bromo-3-nitroquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-(8-bromo-2-oxo-3H-imidazo[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;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 4-[(3-amino-6-bromoquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[(6-bromo-3-nitroquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-(8-bromo-2-oxo-3H-imidazo[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;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 3272.33 g/mol, XLogP of 30.62, 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 4-[(3-amino-6-bromoquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[(6-bromo-3-nitroquinolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-(8-bromo-2-oxo-3H-imidazo[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;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 160565813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).