6-bromo-1-(3-chlorophenyl)-N-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-bromo-1-(4-chlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-2-(1-methoxyethenyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-1-(4-propan-2-ylphenyl)-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-[6-bromo-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone;methane

C111H118Br5Cl2N13O3 — CID 159802567

About 6-bromo-1-(3-chlorophenyl)-N-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-bromo-1-(4-chlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-2-(1-methoxyethenyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-1-(4-propan-2-ylphenyl)-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-[6-bromo-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone;methane

6-bromo-1-(3-chlorophenyl)-N-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-bromo-1-(4-chlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-2-(1-methoxyethenyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-1-(4-propan-2-ylphenyl)-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-[6-bromo-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone;methane (PubChem CID 159802567) has the molecular formula C111H118Br5Cl2N13O3 and a molecular weight of 2152.68 g/mol. Its IUPAC name is 6-bromo-1-(3-chlorophenyl)-N-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-bromo-1-(4-chlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-2-(1-methoxyethenyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-1-(4-propan-2-ylphenyl)-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-[6-bromo-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone;methane.

Molecular Properties

• Compound Name: 6-bromo-1-(3-chlorophenyl)-N-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-bromo-1-(4-chlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-2-(1-methoxyethenyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-1-(4-propan-2-ylphenyl)-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-[6-bromo-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone;methane
• PubChem CID: 159802567
• Molecular Formula: C111H118Br5Cl2N13O3
• Molecular Weight: 2152.68 g/mol
• Exact Mass: 2145.48
• IUPAC Name: 6-bromo-1-(3-chlorophenyl)-N-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-bromo-1-(4-chlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-2-(1-methoxyethenyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-1-(4-propan-2-ylphenyl)-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-[6-bromo-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone;methane
• SMILES: C.C.C.C=C(OC)N1CCc2c([nH]c3ccc(Br)cc23)C1c1ccccc1.CC(=O)N1CCc2c([nH]c3ccc(Br)cc23)C1c1ccc(C(C)C)cc1.CC(C)c1ccc(C2c3[nH]c4ccc(Br)cc4c3CCN2c2ncccn2)cc1.CN1CCc2c([nH]c3ccc(Br)cc23)C1c1ccc(Cl)cc1.O=C(NC1CCCCC1)N1CCc2c([nH]c3ccc(Br)cc23)C1c1cccc(Cl)c1
• InChI: InChI=1S/C24H25BrClN3O.C24H23BrN4.C22H23BrN2O.C20H19BrN2O.C18H16BrClN2.3CH4/c25-16-9-10-21-20(14-16)19-11-12-29(24(30)27-18-7-2-1-3-8-18)23(22(19)28-21)15-5-4-6-17(26)13-15;1-15(2)16-4-6-17(7-5-16)23-22-19(20-14-18(25)8-9-21(20)28-22)10-13-29(23)24-26-11-3-12-27-24;1-13(2)15-4-6-16(7-5-15)22-21-18(10-11-25(22)14(3)26)19-12-17(23)8-9-20(19)24-21;1-13(24-2)23-11-10-16-17-12-15(21)8-9-18(17)22-19(16)20(23)14-6-4-3-5-7-14;1-22-9-8-14-15-10-12(19)4-7-16(15)21-17(14)18(22)11-2-5-13(20)6-3-11;;;/h4-6,9-10,13-14,18,23,28H,1-3,7-8,11-12H2,(H,27,30);3-9,11-12,14-15,23,28H,10,13H2,1-2H3;4-9,12-13,22,24H,10-11H2,1-3H3;3-9,12,20,22H,1,10-11H2,2H3;2-7,10,18,21H,8-9H2,1H3;3*1H4
• InChIKey: NJZBXBXCYCXKBL-UHFFFAOYSA-N
• XLogP: 30.18
• TPSA: 176.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2152.68
LogP ≤ 5	30.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3-chlorophenyl)-N-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-bromo-1-(4-chlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-2-(1-methoxyethenyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-1-(4-propan-2-ylphenyl)-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-[6-bromo-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone;methane?

The IUPAC name of 6-bromo-1-(3-chlorophenyl)-N-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-bromo-1-(4-chlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-2-(1-methoxyethenyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-1-(4-propan-2-ylphenyl)-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-[6-bromo-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone;methane (CID 159802567) is 6-bromo-1-(3-chlorophenyl)-N-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-bromo-1-(4-chlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-2-(1-methoxyethenyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-1-(4-propan-2-ylphenyl)-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-[6-bromo-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone;methane.

What is the SMILES notation for 6-bromo-1-(3-chlorophenyl)-N-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-bromo-1-(4-chlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-2-(1-methoxyethenyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-1-(4-propan-2-ylphenyl)-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-[6-bromo-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone;methane?

The canonical SMILES for 6-bromo-1-(3-chlorophenyl)-N-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-bromo-1-(4-chlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-2-(1-methoxyethenyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-1-(4-propan-2-ylphenyl)-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-[6-bromo-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone;methane is C.C.C.C=C(OC)N1CCc2c([nH]c3ccc(Br)cc23)C1c1ccccc1.CC(=O)N1CCc2c([nH]c3ccc(Br)cc23)C1c1ccc(C(C)C)cc1.CC(C)c1ccc(C2c3[nH]c4ccc(Br)cc4c3CCN2c2ncccn2)cc1.CN1CCc2c([nH]c3ccc(Br)cc23)C1c1ccc(Cl)cc1.O=C(NC1CCCCC1)N1CCc2c([nH]c3ccc(Br)cc23)C1c1cccc(Cl)c1.

What is the InChIKey of 6-bromo-1-(3-chlorophenyl)-N-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-bromo-1-(4-chlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-2-(1-methoxyethenyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-1-(4-propan-2-ylphenyl)-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-[6-bromo-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone;methane?

The InChIKey is NJZBXBXCYCXKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrClN3O.C24H23BrN4.C22H23BrN2O.C20H19BrN2O.C18H16BrClN2.3CH4/c25-16-9-10-21-20(14-16)19-11-12-29(24(30)27-18-7-2-1-3-8-18)23(22(19)28-21)15-5-4-6-17(26)13-15;1-15(2)16-4-6-17(7-5-16)23-22-19(20-14-18(25)8-9-21(20)28-22)10-13-29(23)24-26-11-3-12-27-24;1-13(2)15-4-6-16(7-5-15)22-21-18(10-11-25(22)14(3)26)19-12-17(23)8-9-20(19)24-21;1-13(24-2)23-11-10-16-17-12-15(21)8-9-18(17)22-19(16)20(23)14-6-4-3-5-7-14;1-22-9-8-14-15-10-12(19)4-7-16(15)21-17(14)18(22)11-2-5-13(20)6-3-11;;;/h4-6,9-10,13-14,18,23,28H,1-3,7-8,11-12H2,(H,27,30);3-9,11-12,14-15,23,28H,10,13H2,1-2H3;4-9,12-13,22,24H,10-11H2,1-3H3;3-9,12,20,22H,1,10-11H2,2H3;2-7,10,18,21H,8-9H2,1H3;3*1H4.

What are the key properties of 6-bromo-1-(3-chlorophenyl)-N-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-bromo-1-(4-chlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-2-(1-methoxyethenyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-1-(4-propan-2-ylphenyl)-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-[6-bromo-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone;methane?

6-bromo-1-(3-chlorophenyl)-N-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-bromo-1-(4-chlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-2-(1-methoxyethenyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-1-(4-propan-2-ylphenyl)-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-[6-bromo-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone;methane has a molecular weight of 2152.68 g/mol, XLogP of 30.18, 11 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1-(3-chlorophenyl)-N-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;6-bromo-1-(4-chlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-2-(1-methoxyethenyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-bromo-1-(4-propan-2-ylphenyl)-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-[6-bromo-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone;methane is sourced from PubChem (CID 159802567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).