potassium;tris((2R)-2-acetamido-4-methylpentanoate);(2S)-2-acetamido-4-methylpentanoic acid;(3R)-2-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one;(1R)-2-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;bromomethylbenzene;2,3-dihydro-1-benzofuran-5-carbaldehyde;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-2-ium-9-one;2-(1H-indol-3-yl)ethanamine;chloride

C186H203BrClKN18O22 — CID 161260734

IUPACpotassium;tris((2R)-2-acetamido-4-methylpentanoate);(2S)-2-acetamido-4-methylpentanoic acid;(3R)-2-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one;(1R)-2-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;bromomethylbenzene;2,3-dihydro-1-benzofuran-5-carbaldehyde;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-2-ium-9-one;2-(1H-indol-3-yl)ethanamine;chloride
SMILESBrCc1ccccc1.CC(=O)N[C@@H](CC(C)C)C(=O)O.CC(=O)N[C@H](CC(C)C)C(=O)[O-].CC(=O)N[C@H](CC(C)C)C(=O)[O-].CC(=O)N[C@H](CC(C)C)C(=O)[O-].NCCc1c[nH]c2ccccc12.O=Cc1ccc2c(c1)CCO2.O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)CCO3)N(Cc1ccccc1)C2.O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)CCO3)[NH2+]C2.[Cl-].[K+].c1ccc(CN2CCc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)CCO3)cc1.c1ccc2c3c([nH]c2c1)C(c1ccc2c(c1)CCO2)NCC3.c1ccc2c3c([nH]c2c1)C(c1ccc2c(c1)CCO2)[NH2+]CC3.c1ccc2c3c([nH]c2c1)[C@@H](c1ccc2c(c1)CCO2)[NH2+]CC3
InChIInChI=1S/C26H22N2O2.C26H24N2O.C19H16N2O2.3C19H18N2O.C10H12N2.C9H8O2.4C8H15NO3.C7H7Br.ClH.K/c29-26-20-8-4-5-9-22(20)27-24-21(26)16-28(15-17-6-2-1-3-7-17)25(24)19-10-11-23-18(14-19)12-13-30-23;1-2-6-18(7-3-1)17-28-14-12-22-21-8-4-5-9-23(21)27-25(22)26(28)20-10-11-24-19(16-20)13-15-29-24;22-19-13-3-1-2-4-15(13)21-18-14(19)10-20-17(18)12-5-6-16-11(9-12)7-8-23-16;3*1-2-4-16-14(3-1)15-7-9-20-18(19(15)21-16)13-5-6-17-12(11-13)8-10-22-17;11-6-5-8-7-12-10-4-2-1-3-9(8)10;10-6-7-1-2-9-8(5-7)3-4-11-9;4*1-5(2)4-7(8(11)12)9-6(3)10;8-6-7-4-2-1-3-5-7;;/h1-11,14,25H,12-13,15-16H2,(H,27,29);1-11,16,26-27H,12-15,17H2;1-6,9,17,20H,7-8,10H2,(H,21,22);3*1-6,11,18,20-21H,7-10H2;1-4,7,12H,5-6,11H2;1-2,5-6H,3-4H2;4*5,7H,4H2,1-3H3,(H,9,10)(H,11,12);1-5H,6H2;1H;/q;;;;;;;;;;;;;;+1/p-1/t25-;26-;17-;18-;;;;;4*7-;;;/m1111....1110.../s1
InChIKeyJLUNVSCVPXOIPS-CVELJIDHSA-M
MW3197.23 g/mol
LogP17.59
Rot. Bonds30

About potassium;tris((2R)-2-acetamido-4-methylpentanoate);(2S)-2-acetamido-4-methylpentanoic acid;(3R)-2-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one;(1R)-2-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;bromomethylbenzene;2,3-dihydro-1-benzofuran-5-carbaldehyde;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-2-ium-9-one;2-(1H-indol-3-yl)ethanamine;chloride

potassium;tris((2R)-2-acetamido-4-methylpentanoate);(2S)-2-acetamido-4-methylpentanoic acid;(3R)-2-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one;(1R)-2-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;bromomethylbenzene;2,3-dihydro-1-benzofuran-5-carbaldehyde;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-2-ium-9-one;2-(1H-indol-3-yl)ethanamine;chloride (PubChem CID 161260734) has the molecular formula C186H203BrClKN18O22 and a molecular weight of 3197.23 g/mol. Its IUPAC name is potassium;tris((2R)-2-acetamido-4-methylpentanoate);(2S)-2-acetamido-4-methylpentanoic acid;(3R)-2-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one;(1R)-2-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;bromomethylbenzene;2,3-dihydro-1-benzofuran-5-carbaldehyde;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-2-ium-9-one;2-(1H-indol-3-yl)ethanamine;chloride.

Molecular Properties

Compound Namepotassium;tris((2R)-2-acetamido-4-methylpentanoate);(2S)-2-acetamido-4-methylpentanoic acid;(3R)-2-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one;(1R)-2-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;bromomethylbenzene;2,3-dihydro-1-benzofuran-5-carbaldehyde;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-2-ium-9-one;2-(1H-indol-3-yl)ethanamine;chloride
PubChem CID161260734
Molecular FormulaC186H203BrClKN18O22
Molecular Weight3197.23 g/mol
Exact Mass3193.38
IUPAC Namepotassium;tris((2R)-2-acetamido-4-methylpentanoate);(2S)-2-acetamido-4-methylpentanoic acid;(3R)-2-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one;(1R)-2-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;bromomethylbenzene;2,3-dihydro-1-benzofuran-5-carbaldehyde;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-2-ium-9-one;2-(1H-indol-3-yl)ethanamine;chloride
SMILESBrCc1ccccc1.CC(=O)N[C@@H](CC(C)C)C(=O)O.CC(=O)N[C@H](CC(C)C)C(=O)[O-].CC(=O)N[C@H](CC(C)C)C(=O)[O-].CC(=O)N[C@H](CC(C)C)C(=O)[O-].NCCc1c[nH]c2ccccc12.O=Cc1ccc2c(c1)CCO2.O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)CCO3)N(Cc1ccccc1)C2.O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)CCO3)[NH2+]C2.[Cl-].[K+].c1ccc(CN2CCc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)CCO3)cc1.c1ccc2c3c([nH]c2c1)C(c1ccc2c(c1)CCO2)NCC3.c1ccc2c3c([nH]c2c1)C(c1ccc2c(c1)CCO2)[NH2+]CC3.c1ccc2c3c([nH]c2c1)[C@@H](c1ccc2c(c1)CCO2)[NH2+]CC3
InChIInChI=1S/C26H22N2O2.C26H24N2O.C19H16N2O2.3C19H18N2O.C10H12N2.C9H8O2.4C8H15NO3.C7H7Br.ClH.K/c29-26-20-8-4-5-9-22(20)27-24-21(26)16-28(15-17-6-2-1-3-7-17)25(24)19-10-11-23-18(14-19)12-13-30-23;1-2-6-18(7-3-1)17-28-14-12-22-21-8-4-5-9-23(21)27-25(22)26(28)20-10-11-24-19(16-20)13-15-29-24;22-19-13-3-1-2-4-15(13)21-18-14(19)10-20-17(18)12-5-6-16-11(9-12)7-8-23-16;3*1-2-4-16-14(3-1)15-7-9-20-18(19(15)21-16)13-5-6-17-12(11-13)8-10-22-17;11-6-5-8-7-12-10-4-2-1-3-9(8)10;10-6-7-1-2-9-8(5-7)3-4-11-9;4*1-5(2)4-7(8(11)12)9-6(3)10;8-6-7-4-2-1-3-5-7;;/h1-11,14,25H,12-13,15-16H2,(H,27,29);1-11,16,26-27H,12-15,17H2;1-6,9,17,20H,7-8,10H2,(H,21,22);3*1-6,11,18,20-21H,7-10H2;1-4,7,12H,5-6,11H2;1-2,5-6H,3-4H2;4*5,7H,4H2,1-3H3,(H,9,10)(H,11,12);1-5H,6H2;1H;/q;;;;;;;;;;;;;;+1/p-1/t25-;26-;17-;18-;;;;;4*7-;;;/m1111....1110.../s1
InChIKeyJLUNVSCVPXOIPS-CVELJIDHSA-M
XLogP17.59
TPSA594.80 Ų
H-Bond Donors17
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms229
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003197.23
LogP ≤ 517.59
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze potassium;tris((2R)-2-acetamido-4-methylpentanoate);(2S)-2-acetamido-4-methylpentanoic acid;(3R)-2-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one;(1R)-2-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;bromomethylbenzene;2,3-dihydro-1-benzofuran-5-carbaldehyde;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-2-ium-9-one;2-(1H-indol-3-yl)ethanamine;chloride with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of potassium;tris((2R)-2-acetamido-4-methylpentanoate);(2S)-2-acetamido-4-methylpentanoic acid;(3R)-2-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one;(1R)-2-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;bromomethylbenzene;2,3-dihydro-1-benzofuran-5-carbaldehyde;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-2-ium-9-one;2-(1H-indol-3-yl)ethanamine;chloride?
The IUPAC name of potassium;tris((2R)-2-acetamido-4-methylpentanoate);(2S)-2-acetamido-4-methylpentanoic acid;(3R)-2-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one;(1R)-2-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;bromomethylbenzene;2,3-dihydro-1-benzofuran-5-carbaldehyde;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-2-ium-9-one;2-(1H-indol-3-yl)ethanamine;chloride (CID 161260734) is potassium;tris((2R)-2-acetamido-4-methylpentanoate);(2S)-2-acetamido-4-methylpentanoic acid;(3R)-2-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one;(1R)-2-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;bromomethylbenzene;2,3-dihydro-1-benzofuran-5-carbaldehyde;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-2-ium-9-one;2-(1H-indol-3-yl)ethanamine;chloride.
What is the SMILES notation for potassium;tris((2R)-2-acetamido-4-methylpentanoate);(2S)-2-acetamido-4-methylpentanoic acid;(3R)-2-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one;(1R)-2-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;bromomethylbenzene;2,3-dihydro-1-benzofuran-5-carbaldehyde;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-2-ium-9-one;2-(1H-indol-3-yl)ethanamine;chloride?
The canonical SMILES for potassium;tris((2R)-2-acetamido-4-methylpentanoate);(2S)-2-acetamido-4-methylpentanoic acid;(3R)-2-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one;(1R)-2-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;bromomethylbenzene;2,3-dihydro-1-benzofuran-5-carbaldehyde;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-2-ium-9-one;2-(1H-indol-3-yl)ethanamine;chloride is BrCc1ccccc1.CC(=O)N[C@@H](CC(C)C)C(=O)O.CC(=O)N[C@H](CC(C)C)C(=O)[O-].CC(=O)N[C@H](CC(C)C)C(=O)[O-].CC(=O)N[C@H](CC(C)C)C(=O)[O-].NCCc1c[nH]c2ccccc12.O=Cc1ccc2c(c1)CCO2.O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)CCO3)N(Cc1ccccc1)C2.O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)CCO3)[NH2+]C2.[Cl-].[K+].c1ccc(CN2CCc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)CCO3)cc1.c1ccc2c3c([nH]c2c1)C(c1ccc2c(c1)CCO2)NCC3.c1ccc2c3c([nH]c2c1)C(c1ccc2c(c1)CCO2)[NH2+]CC3.c1ccc2c3c([nH]c2c1)[C@@H](c1ccc2c(c1)CCO2)[NH2+]CC3.
What is the InChIKey of potassium;tris((2R)-2-acetamido-4-methylpentanoate);(2S)-2-acetamido-4-methylpentanoic acid;(3R)-2-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one;(1R)-2-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;bromomethylbenzene;2,3-dihydro-1-benzofuran-5-carbaldehyde;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-2-ium-9-one;2-(1H-indol-3-yl)ethanamine;chloride?
The InChIKey is JLUNVSCVPXOIPS-CVELJIDHSA-M. The full InChI is InChI=1S/C26H22N2O2.C26H24N2O.C19H16N2O2.3C19H18N2O.C10H12N2.C9H8O2.4C8H15NO3.C7H7Br.ClH.K/c29-26-20-8-4-5-9-22(20)27-24-21(26)16-28(15-17-6-2-1-3-7-17)25(24)19-10-11-23-18(14-19)12-13-30-23;1-2-6-18(7-3-1)17-28-14-12-22-21-8-4-5-9-23(21)27-25(22)26(28)20-10-11-24-19(16-20)13-15-29-24;22-19-13-3-1-2-4-15(13)21-18-14(19)10-20-17(18)12-5-6-16-11(9-12)7-8-23-16;3*1-2-4-16-14(3-1)15-7-9-20-18(19(15)21-16)13-5-6-17-12(11-13)8-10-22-17;11-6-5-8-7-12-10-4-2-1-3-9(8)10;10-6-7-1-2-9-8(5-7)3-4-11-9;4*1-5(2)4-7(8(11)12)9-6(3)10;8-6-7-4-2-1-3-5-7;;/h1-11,14,25H,12-13,15-16H2,(H,27,29);1-11,16,26-27H,12-15,17H2;1-6,9,17,20H,7-8,10H2,(H,21,22);3*1-6,11,18,20-21H,7-10H2;1-4,7,12H,5-6,11H2;1-2,5-6H,3-4H2;4*5,7H,4H2,1-3H3,(H,9,10)(H,11,12);1-5H,6H2;1H;/q;;;;;;;;;;;;;;+1/p-1/t25-;26-;17-;18-;;;;;4*7-;;;/m1111....1110.../s1.
What are the key properties of potassium;tris((2R)-2-acetamido-4-methylpentanoate);(2S)-2-acetamido-4-methylpentanoic acid;(3R)-2-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one;(1R)-2-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;bromomethylbenzene;2,3-dihydro-1-benzofuran-5-carbaldehyde;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-2-ium-9-one;2-(1H-indol-3-yl)ethanamine;chloride?
potassium;tris((2R)-2-acetamido-4-methylpentanoate);(2S)-2-acetamido-4-methylpentanoic acid;(3R)-2-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one;(1R)-2-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;bromomethylbenzene;2,3-dihydro-1-benzofuran-5-carbaldehyde;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-2-ium-9-one;2-(1H-indol-3-yl)ethanamine;chloride has a molecular weight of 3197.23 g/mol, XLogP of 17.59, 30 rotatable bonds, 17 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;tris((2R)-2-acetamido-4-methylpentanoate);(2S)-2-acetamido-4-methylpentanoic acid;(3R)-2-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one;(1R)-2-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;bromomethylbenzene;2,3-dihydro-1-benzofuran-5-carbaldehyde;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium;(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-2-ium-9-one;2-(1H-indol-3-yl)ethanamine;chloride is sourced from PubChem (CID 161260734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).