2-chloro-N,N-dimethylacetamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-methylindole-6-carboxylate;methyl 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-1-methyl-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2H-quinolin-2-id-6-yl)-1H-indole-6-carboxylate;2H-quinolin-2-id-6-ylboronic acid;pentakis(yttrium)

C154H159BBr2ClN14O17Y5-5 — CID 159820026

About 2-chloro-N,N-dimethylacetamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-methylindole-6-carboxylate;methyl 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-1-methyl-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2H-quinolin-2-id-6-yl)-1H-indole-6-carboxylate;2H-quinolin-2-id-6-ylboronic acid;pentakis(yttrium)

2-chloro-N,N-dimethylacetamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-methylindole-6-carboxylate;methyl 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-1-methyl-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2H-quinolin-2-id-6-yl)-1H-indole-6-carboxylate;2H-quinolin-2-id-6-ylboronic acid;pentakis(yttrium) (PubChem CID 159820026) has the molecular formula C154H159BBr2ClN14O17Y5-5 and a molecular weight of 3128.65 g/mol. Its IUPAC name is 2-chloro-N,N-dimethylacetamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-methylindole-6-carboxylate;methyl 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-1-methyl-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2H-quinolin-2-id-6-yl)-1H-indole-6-carboxylate;2H-quinolin-2-id-6-ylboronic acid;pentakis(yttrium).

Molecular Properties

• Compound Name: 2-chloro-N,N-dimethylacetamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-methylindole-6-carboxylate;methyl 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-1-methyl-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2H-quinolin-2-id-6-yl)-1H-indole-6-carboxylate;2H-quinolin-2-id-6-ylboronic acid;pentakis(yttrium)
• PubChem CID: 159820026
• Molecular Formula: C154H159BBr2ClN14O17Y5-5
• Molecular Weight: 3128.65 g/mol
• Exact Mass: 3124.55
• IUPAC Name: 2-chloro-N,N-dimethylacetamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-methylindole-6-carboxylate;methyl 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-1-methyl-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2H-quinolin-2-id-6-yl)-1H-indole-6-carboxylate;2H-quinolin-2-id-6-ylboronic acid;pentakis(yttrium)
• SMILES: CN(C)C(=O)CCl.CN(C)C(=O)Cn1c(-c2ccc3n[c-]ccc3c2)c(C2CCCCC2)c2ccc(C(=O)O)cc21.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc4n[c-]ccc4c3)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc4n[c-]ccc4c3)n(C)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc4n[c-]ccc4c3)n(CC(=O)N(C)C)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(Br)n(C)c2c1.OB(O)c1ccc2n[c-]ccc2c1.[Y].[Y].[Y].[Y].[Y]
• InChI: InChI=1S/C29H30N3O3.C28H28N3O3.C26H25N2O2.C25H23N2O2.C17H20BrNO2.C16H18BrNO2.C9H7BNO2.C4H8ClNO.5Y/c1-31(2)26(33)18-32-25-17-22(29(34)35-3)11-13-23(25)27(19-8-5-4-6-9-19)28(32)21-12-14-24-20(16-21)10-7-15-30-24;1-30(2)25(32)17-31-24-16-21(28(33)34)10-12-22(24)26(18-7-4-3-5-8-18)27(31)20-11-13-23-19(15-20)9-6-14-29-23;1-28-23-16-20(26(29)30-2)10-12-21(23)24(17-7-4-3-5-8-17)25(28)19-11-13-22-18(15-19)9-6-14-27-22;1-29-25(28)19-9-11-20-22(15-19)27-24(23(20)16-6-3-2-4-7-16)18-10-12-21-17(14-18)8-5-13-26-21;1-19-14-10-12(17(20)21-2)8-9-13(14)15(16(19)18)11-6-4-3-5-7-11;1-20-16(19)11-7-8-12-13(9-11)18-15(17)14(12)10-5-3-2-4-6-10;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;1-6(2)4(7)3-5;;;;;/h7,10-14,16-17,19H,4-6,8-9,18H2,1-3H3;6,9-13,15-16,18H,3-5,7-8,17H2,1-2H3,(H,33,34);6,9-13,15-17H,3-5,7-8H2,1-2H3;5,8-12,14-16,27H,2-4,6-7H2,1H3;8-11H,3-7H2,1-2H3;7-10,18H,2-6H2,1H3;1-4,6,12-13H;3H2,1-2H3;;;;;/q4*-1;;;-1
• InChIKey: FTYDZKXHWIGIMA-UHFFFAOYSA-N
• XLogP: 32.67
• TPSA: 385.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3128.65
LogP ≤ 5	32.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethylacetamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-methylindole-6-carboxylate;methyl 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-1-methyl-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2H-quinolin-2-id-6-yl)-1H-indole-6-carboxylate;2H-quinolin-2-id-6-ylboronic acid;pentakis(yttrium)?

The IUPAC name of 2-chloro-N,N-dimethylacetamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-methylindole-6-carboxylate;methyl 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-1-methyl-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2H-quinolin-2-id-6-yl)-1H-indole-6-carboxylate;2H-quinolin-2-id-6-ylboronic acid;pentakis(yttrium) (CID 159820026) is 2-chloro-N,N-dimethylacetamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-methylindole-6-carboxylate;methyl 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-1-methyl-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2H-quinolin-2-id-6-yl)-1H-indole-6-carboxylate;2H-quinolin-2-id-6-ylboronic acid;pentakis(yttrium).

What is the SMILES notation for 2-chloro-N,N-dimethylacetamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-methylindole-6-carboxylate;methyl 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-1-methyl-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2H-quinolin-2-id-6-yl)-1H-indole-6-carboxylate;2H-quinolin-2-id-6-ylboronic acid;pentakis(yttrium)?

The canonical SMILES for 2-chloro-N,N-dimethylacetamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-methylindole-6-carboxylate;methyl 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-1-methyl-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2H-quinolin-2-id-6-yl)-1H-indole-6-carboxylate;2H-quinolin-2-id-6-ylboronic acid;pentakis(yttrium) is CN(C)C(=O)CCl.CN(C)C(=O)Cn1c(-c2ccc3n[c-]ccc3c2)c(C2CCCCC2)c2ccc(C(=O)O)cc21.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc4n[c-]ccc4c3)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc4n[c-]ccc4c3)n(C)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc4n[c-]ccc4c3)n(CC(=O)N(C)C)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(Br)n(C)c2c1.OB(O)c1ccc2n[c-]ccc2c1.[Y].[Y].[Y].[Y].[Y].

What is the InChIKey of 2-chloro-N,N-dimethylacetamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-methylindole-6-carboxylate;methyl 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-1-methyl-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2H-quinolin-2-id-6-yl)-1H-indole-6-carboxylate;2H-quinolin-2-id-6-ylboronic acid;pentakis(yttrium)?

The InChIKey is FTYDZKXHWIGIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N3O3.C28H28N3O3.C26H25N2O2.C25H23N2O2.C17H20BrNO2.C16H18BrNO2.C9H7BNO2.C4H8ClNO.5Y/c1-31(2)26(33)18-32-25-17-22(29(34)35-3)11-13-23(25)27(19-8-5-4-6-9-19)28(32)21-12-14-24-20(16-21)10-7-15-30-24;1-30(2)25(32)17-31-24-16-21(28(33)34)10-12-22(24)26(18-7-4-3-5-8-18)27(31)20-11-13-23-19(15-20)9-6-14-29-23;1-28-23-16-20(26(29)30-2)10-12-21(23)24(17-7-4-3-5-8-17)25(28)19-11-13-22-18(15-19)9-6-14-27-22;1-29-25(28)19-9-11-20-22(15-19)27-24(23(20)16-6-3-2-4-7-16)18-10-12-21-17(14-18)8-5-13-26-21;1-19-14-10-12(17(20)21-2)8-9-13(14)15(16(19)18)11-6-4-3-5-7-11;1-20-16(19)11-7-8-12-13(9-11)18-15(17)14(12)10-5-3-2-4-6-10;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;1-6(2)4(7)3-5;;;;;/h7,10-14,16-17,19H,4-6,8-9,18H2,1-3H3;6,9-13,15-16,18H,3-5,7-8,17H2,1-2H3,(H,33,34);6,9-13,15-17H,3-5,7-8H2,1-2H3;5,8-12,14-16,27H,2-4,6-7H2,1H3;8-11H,3-7H2,1-2H3;7-10,18H,2-6H2,1H3;1-4,6,12-13H;3H2,1-2H3;;;;;/q4*-1;;;-1;;;;;;.

What are the key properties of 2-chloro-N,N-dimethylacetamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-methylindole-6-carboxylate;methyl 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-1-methyl-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2H-quinolin-2-id-6-yl)-1H-indole-6-carboxylate;2H-quinolin-2-id-6-ylboronic acid;pentakis(yttrium)?

2-chloro-N,N-dimethylacetamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-methylindole-6-carboxylate;methyl 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-1-methyl-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2H-quinolin-2-id-6-yl)-1H-indole-6-carboxylate;2H-quinolin-2-id-6-ylboronic acid;pentakis(yttrium) has a molecular weight of 3128.65 g/mol, XLogP of 32.67, 22 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N,N-dimethylacetamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-methylindole-6-carboxylate;methyl 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-1-methyl-2-(2H-quinolin-2-id-6-yl)indole-6-carboxylate;methyl 3-cyclohexyl-2-(2H-quinolin-2-id-6-yl)-1H-indole-6-carboxylate;2H-quinolin-2-id-6-ylboronic acid;pentakis(yttrium) is sourced from PubChem (CID 159820026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).