4-aminocyclohexane-1-carboxylic acid;6-bromo-4-chloro-3-nitroquinoline;8-bromo-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-(4-methylcyclohexyl)-3-nitroquinolin-4-amine;6-bromo-4-N-(4-methylcyclohexyl)quinoline-3,4-diamine;8-bromo-3-methyl-1-(4-methylcyclohexyl)imidazo[4,5-c]quinolin-2-one;tetrakis(carbon dioxide);methanol;methyl 4-aminocyclohexane-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;thionyl dichloride

C111H132BBr5Cl3N19O22S — CID 157119613

About 4-aminocyclohexane-1-carboxylic acid;6-bromo-4-chloro-3-nitroquinoline;8-bromo-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-(4-methylcyclohexyl)-3-nitroquinolin-4-amine;6-bromo-4-N-(4-methylcyclohexyl)quinoline-3,4-diamine;8-bromo-3-methyl-1-(4-methylcyclohexyl)imidazo[4,5-c]quinolin-2-one;tetrakis(carbon dioxide);methanol;methyl 4-aminocyclohexane-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;thionyl dichloride

4-aminocyclohexane-1-carboxylic acid;6-bromo-4-chloro-3-nitroquinoline;8-bromo-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-(4-methylcyclohexyl)-3-nitroquinolin-4-amine;6-bromo-4-N-(4-methylcyclohexyl)quinoline-3,4-diamine;8-bromo-3-methyl-1-(4-methylcyclohexyl)imidazo[4,5-c]quinolin-2-one;tetrakis(carbon dioxide);methanol;methyl 4-aminocyclohexane-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;thionyl dichloride (PubChem CID 157119613) has the molecular formula C111H132BBr5Cl3N19O22S and a molecular weight of 2633.15 g/mol. Its IUPAC name is 4-aminocyclohexane-1-carboxylic acid;6-bromo-4-chloro-3-nitroquinoline;8-bromo-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-(4-methylcyclohexyl)-3-nitroquinolin-4-amine;6-bromo-4-N-(4-methylcyclohexyl)quinoline-3,4-diamine;8-bromo-3-methyl-1-(4-methylcyclohexyl)imidazo[4,5-c]quinolin-2-one;tetrakis(carbon dioxide);methanol;methyl 4-aminocyclohexane-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;thionyl dichloride.

Molecular Properties

• Compound Name: 4-aminocyclohexane-1-carboxylic acid;6-bromo-4-chloro-3-nitroquinoline;8-bromo-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-(4-methylcyclohexyl)-3-nitroquinolin-4-amine;6-bromo-4-N-(4-methylcyclohexyl)quinoline-3,4-diamine;8-bromo-3-methyl-1-(4-methylcyclohexyl)imidazo[4,5-c]quinolin-2-one;tetrakis(carbon dioxide);methanol;methyl 4-aminocyclohexane-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;thionyl dichloride
• PubChem CID: 157119613
• Molecular Formula: C111H132BBr5Cl3N19O22S
• Molecular Weight: 2633.15 g/mol
• Exact Mass: 2625.46
• IUPAC Name: 4-aminocyclohexane-1-carboxylic acid;6-bromo-4-chloro-3-nitroquinoline;8-bromo-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-(4-methylcyclohexyl)-3-nitroquinolin-4-amine;6-bromo-4-N-(4-methylcyclohexyl)quinoline-3,4-diamine;8-bromo-3-methyl-1-(4-methylcyclohexyl)imidazo[4,5-c]quinolin-2-one;tetrakis(carbon dioxide);methanol;methyl 4-aminocyclohexane-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;thionyl dichloride
• SMILES: CC1CCC(Nc2c(N)cnc3ccc(Br)cc23)CC1.CC1CCC(Nc2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1.CC1CCC(n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)CC1.CC1CCC(n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)CC1.CO.COC(=O)C1CCC(N)CC1.Cn1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cn1.NC1CCC(C(=O)O)CC1.O=C=O.O=C=O.O=C=O.O=C=O.O=S(Cl)Cl.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl
• InChI: InChI=1S/C18H20BrN3O.C17H18BrN3O.C16H18BrN3O2.C16H20BrN3.C15H20BN3O2.C9H4BrClN2O2.C8H15NO2.C7H13NO2.4CO2.CH4O.Cl2OS/c1-11-3-6-13(7-4-11)22-17-14-9-12(19)5-8-15(14)20-10-16(17)21(2)18(22)23;1-10-2-5-12(6-3-10)21-16-13-8-11(18)4-7-14(13)19-9-15(16)20-17(21)22;1-10-2-5-12(6-3-10)19-16-13-8-11(17)4-7-14(13)18-9-15(16)20(21)22;1-10-2-5-12(6-3-10)20-16-13-8-11(17)4-7-15(13)19-9-14(16)18;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;1-11-8(10)6-2-4-7(9)5-3-6;8-6-3-1-5(2-4-6)7(9)10;4*2-1-3;1-2;1-4(2)3/h5,8-11,13H,3-4,6-7H2,1-2H3;4,7-10,12H,2-3,5-6H2,1H3,(H,20,22);4,7-10,12H,2-3,5-6H2,1H3,(H,18,19);4,7-10,12H,2-3,5-6,18H2,1H3,(H,19,20);6-10H,1-5H3;1-4H;6-7H,2-5,9H2,1H3;5-6H,1-4,8H2,(H,9,10);;;;;2H,1H3
• InChIKey: AHUVEMGXJDSVNC-UHFFFAOYSA-N
• XLogP: 23.18
• TPSA: 604.20 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 12
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2633.15
LogP ≤ 5	23.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexane-1-carboxylic acid;6-bromo-4-chloro-3-nitroquinoline;8-bromo-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-(4-methylcyclohexyl)-3-nitroquinolin-4-amine;6-bromo-4-N-(4-methylcyclohexyl)quinoline-3,4-diamine;8-bromo-3-methyl-1-(4-methylcyclohexyl)imidazo[4,5-c]quinolin-2-one;tetrakis(carbon dioxide);methanol;methyl 4-aminocyclohexane-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;thionyl dichloride?

The IUPAC name of 4-aminocyclohexane-1-carboxylic acid;6-bromo-4-chloro-3-nitroquinoline;8-bromo-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-(4-methylcyclohexyl)-3-nitroquinolin-4-amine;6-bromo-4-N-(4-methylcyclohexyl)quinoline-3,4-diamine;8-bromo-3-methyl-1-(4-methylcyclohexyl)imidazo[4,5-c]quinolin-2-one;tetrakis(carbon dioxide);methanol;methyl 4-aminocyclohexane-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;thionyl dichloride (CID 157119613) is 4-aminocyclohexane-1-carboxylic acid;6-bromo-4-chloro-3-nitroquinoline;8-bromo-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-(4-methylcyclohexyl)-3-nitroquinolin-4-amine;6-bromo-4-N-(4-methylcyclohexyl)quinoline-3,4-diamine;8-bromo-3-methyl-1-(4-methylcyclohexyl)imidazo[4,5-c]quinolin-2-one;tetrakis(carbon dioxide);methanol;methyl 4-aminocyclohexane-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;thionyl dichloride.

What is the SMILES notation for 4-aminocyclohexane-1-carboxylic acid;6-bromo-4-chloro-3-nitroquinoline;8-bromo-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-(4-methylcyclohexyl)-3-nitroquinolin-4-amine;6-bromo-4-N-(4-methylcyclohexyl)quinoline-3,4-diamine;8-bromo-3-methyl-1-(4-methylcyclohexyl)imidazo[4,5-c]quinolin-2-one;tetrakis(carbon dioxide);methanol;methyl 4-aminocyclohexane-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;thionyl dichloride?

The canonical SMILES for 4-aminocyclohexane-1-carboxylic acid;6-bromo-4-chloro-3-nitroquinoline;8-bromo-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-(4-methylcyclohexyl)-3-nitroquinolin-4-amine;6-bromo-4-N-(4-methylcyclohexyl)quinoline-3,4-diamine;8-bromo-3-methyl-1-(4-methylcyclohexyl)imidazo[4,5-c]quinolin-2-one;tetrakis(carbon dioxide);methanol;methyl 4-aminocyclohexane-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;thionyl dichloride is CC1CCC(Nc2c(N)cnc3ccc(Br)cc23)CC1.CC1CCC(Nc2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1.CC1CCC(n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)CC1.CC1CCC(n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)CC1.CO.COC(=O)C1CCC(N)CC1.Cn1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cn1.NC1CCC(C(=O)O)CC1.O=C=O.O=C=O.O=C=O.O=C=O.O=S(Cl)Cl.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl.

What is the InChIKey of 4-aminocyclohexane-1-carboxylic acid;6-bromo-4-chloro-3-nitroquinoline;8-bromo-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-(4-methylcyclohexyl)-3-nitroquinolin-4-amine;6-bromo-4-N-(4-methylcyclohexyl)quinoline-3,4-diamine;8-bromo-3-methyl-1-(4-methylcyclohexyl)imidazo[4,5-c]quinolin-2-one;tetrakis(carbon dioxide);methanol;methyl 4-aminocyclohexane-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;thionyl dichloride?

The InChIKey is AHUVEMGXJDSVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O.C17H18BrN3O.C16H18BrN3O2.C16H20BrN3.C15H20BN3O2.C9H4BrClN2O2.C8H15NO2.C7H13NO2.4CO2.CH4O.Cl2OS/c1-11-3-6-13(7-4-11)22-17-14-9-12(19)5-8-15(14)20-10-16(17)21(2)18(22)23;1-10-2-5-12(6-3-10)21-16-13-8-11(18)4-7-14(13)19-9-15(16)20-17(21)22;1-10-2-5-12(6-3-10)19-16-13-8-11(17)4-7-14(13)18-9-15(16)20(21)22;1-10-2-5-12(6-3-10)20-16-13-8-11(17)4-7-15(13)19-9-14(16)18;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;1-11-8(10)6-2-4-7(9)5-3-6;8-6-3-1-5(2-4-6)7(9)10;4*2-1-3;1-2;1-4(2)3/h5,8-11,13H,3-4,6-7H2,1-2H3;4,7-10,12H,2-3,5-6H2,1H3,(H,20,22);4,7-10,12H,2-3,5-6H2,1H3,(H,18,19);4,7-10,12H,2-3,5-6,18H2,1H3,(H,19,20);6-10H,1-5H3;1-4H;6-7H,2-5,9H2,1H3;5-6H,1-4,8H2,(H,9,10);;;;;2H,1H3;.

What are the key properties of 4-aminocyclohexane-1-carboxylic acid;6-bromo-4-chloro-3-nitroquinoline;8-bromo-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-(4-methylcyclohexyl)-3-nitroquinolin-4-amine;6-bromo-4-N-(4-methylcyclohexyl)quinoline-3,4-diamine;8-bromo-3-methyl-1-(4-methylcyclohexyl)imidazo[4,5-c]quinolin-2-one;tetrakis(carbon dioxide);methanol;methyl 4-aminocyclohexane-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;thionyl dichloride?

4-aminocyclohexane-1-carboxylic acid;6-bromo-4-chloro-3-nitroquinoline;8-bromo-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-(4-methylcyclohexyl)-3-nitroquinolin-4-amine;6-bromo-4-N-(4-methylcyclohexyl)quinoline-3,4-diamine;8-bromo-3-methyl-1-(4-methylcyclohexyl)imidazo[4,5-c]quinolin-2-one;tetrakis(carbon dioxide);methanol;methyl 4-aminocyclohexane-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;thionyl dichloride has a molecular weight of 2633.15 g/mol, XLogP of 23.18, 12 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-aminocyclohexane-1-carboxylic acid;6-bromo-4-chloro-3-nitroquinoline;8-bromo-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-(4-methylcyclohexyl)-3-nitroquinolin-4-amine;6-bromo-4-N-(4-methylcyclohexyl)quinoline-3,4-diamine;8-bromo-3-methyl-1-(4-methylcyclohexyl)imidazo[4,5-c]quinolin-2-one;tetrakis(carbon dioxide);methanol;methyl 4-aminocyclohexane-1-carboxylate;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;thionyl dichloride is sourced from PubChem (CID 157119613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).