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 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-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;tetrakis(yttrium)

C111H114BBrClN11O13Y4-4 — CID 158031734

IUPAC2-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 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-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;tetrakis(yttrium)
SMILESCN(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(CC(=O)N(C)C)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1.OB(O)c1ccc2n[c-]ccc2c1.[Y].[Y].[Y].[Y]
InChIInChI=1S/C29H30N3O3.C28H28N3O3.C25H23N2O2.C16H18BrNO2.C9H7BNO2.C4H8ClNO.4Y/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;1-29-25(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;1-20-16(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);5,8-12,14-16,27H,2-4,6-7H2,1H3;7-10,18H,2-6H2,1H3;1-4,6,12-13H;3H2,1-2H3;;;;/q3*-1;;-1;;;;;
InChIKeyIUNQNQXYFDINHY-UHFFFAOYSA-N
MW2291.99 g/mol
LogP21.87
Rot. Bonds17

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 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-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;tetrakis(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 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-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;tetrakis(yttrium) (PubChem CID 158031734) has the molecular formula C111H114BBrClN11O13Y4-4 and a molecular weight of 2291.99 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 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-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;tetrakis(yttrium).

Molecular Properties

Compound Name2-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 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-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;tetrakis(yttrium)
PubChem CID158031734
Molecular FormulaC111H114BBrClN11O13Y4-4
Molecular Weight2291.99 g/mol
Exact Mass2289.38
IUPAC Name2-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 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-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;tetrakis(yttrium)
SMILESCN(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(CC(=O)N(C)C)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1.OB(O)c1ccc2n[c-]ccc2c1.[Y].[Y].[Y].[Y]
InChIInChI=1S/C29H30N3O3.C28H28N3O3.C25H23N2O2.C16H18BrNO2.C9H7BNO2.C4H8ClNO.4Y/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;1-29-25(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;1-20-16(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);5,8-12,14-16,27H,2-4,6-7H2,1H3;7-10,18H,2-6H2,1H3;1-4,6,12-13H;3H2,1-2H3;;;;/q3*-1;;-1;;;;;
InChIKeyIUNQNQXYFDINHY-UHFFFAOYSA-N
XLogP21.87
TPSA310.59 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002291.99
LogP ≤ 521.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

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'}

Analyze 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 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-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;tetrakis(yttrium) with MolForge

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Related Compounds

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3-cyclohexyl-10,15-diazapentacyclo[13.7.0.02,10.04,9.016,21]docosa-1(22),2,4(9),5,7,16,18,20-octaene-7-carboxylic acid;1,4-diiodobutane;methoxymethylbenzene;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(1H-indol-2-yl)-1H-indole-6-carboxylate;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
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Methyl 2-(2-amino-4-methylphenyl)-3-cyclohexyl-1-(2-oxopropyl)indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-(2-oxopropyl)indole-6-carboxylate;5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
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lithium;bis(2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid);1-(2-bromo-3-cyclohexyl-1H-indol-6-yl)ethanone;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;hydroxide
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cyclohexanone;1H-indole-6-carboxylic acid;methane;methanol;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 3-(cyclohexen-1-yl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-1H-indole-6-carboxylate;palladium;hydrate
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methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]-1H-indole-6-carboxylate;[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]boronic acid
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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 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-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;tetrakis(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 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-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;tetrakis(yttrium) (CID 158031734) 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 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-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;tetrakis(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 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-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;tetrakis(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 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-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;tetrakis(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(CC(=O)N(C)C)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1.OB(O)c1ccc2n[c-]ccc2c1.[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 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-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;tetrakis(yttrium)?
The InChIKey is IUNQNQXYFDINHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N3O3.C28H28N3O3.C25H23N2O2.C16H18BrNO2.C9H7BNO2.C4H8ClNO.4Y/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;1-29-25(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;1-20-16(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);5,8-12,14-16,27H,2-4,6-7H2,1H3;7-10,18H,2-6H2,1H3;1-4,6,12-13H;3H2,1-2H3;;;;/q3*-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 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-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;tetrakis(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 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-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;tetrakis(yttrium) has a molecular weight of 2291.99 g/mol, XLogP of 21.87, 17 rotatable bonds, 5 hydrogen bond donors, and 18 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 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-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;tetrakis(yttrium) is sourced from PubChem (CID 158031734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).