6-bromo-1H-indole;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropan-1-amine;methyl (E)-but-2-enoate;methyl 3-(1H-indol-6-yl)-3-(3-methoxyphenyl)propanoate;methyl (E)-3-(1H-indol-6-yl)prop-2-enoate

C82H86BrN7O10 — CID 159047394

IUPAC6-bromo-1H-indole;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropan-1-amine;methyl (E)-but-2-enoate;methyl 3-(1H-indol-6-yl)-3-(3-methoxyphenyl)propanoate;methyl (E)-3-(1H-indol-6-yl)prop-2-enoate
SMILESBrc1ccc2cc[nH]c2c1.C/C=C/C(=O)OC.CNC(=O)CC(c1cccc(OC)c1)c1ccc2cc[nH]c2c1.CNCCC(c1cccc(OC)c1)c1ccc2cc[nH]c2c1.COC(=O)/C=C/c1ccc2cc[nH]c2c1.COC(=O)CC(c1cccc(OC)c1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C19H20N2O2.C19H22N2O.C19H19NO3.C12H11NO2.C8H6BrN.C5H8O2/c1-20-19(22)12-17(14-4-3-5-16(10-14)23-2)15-7-6-13-8-9-21-18(13)11-15;1-20-10-9-18(15-4-3-5-17(12-15)22-2)16-7-6-14-8-11-21-19(14)13-16;1-22-16-5-3-4-14(10-16)17(12-19(21)23-2)15-7-6-13-8-9-20-18(13)11-15;1-15-12(14)5-3-9-2-4-10-6-7-13-11(10)8-9;9-7-2-1-6-3-4-10-8(6)5-7;1-3-4-5(6)7-2/h3-11,17,21H,12H2,1-2H3,(H,20,22);3-8,11-13,18,20-21H,9-10H2,1-2H3;3-11,17,20H,12H2,1-2H3;2-8,13H,1H3;1-5,10H;3-4H,1-2H3/b;;;5-3+;;4-3+
InChIKeyJWVDPOSFEGPIDW-YETQRZSSSA-N
MW1409.53 g/mol
LogP17.25
Rot. Bonds19

About 6-bromo-1H-indole;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropan-1-amine;methyl (E)-but-2-enoate;methyl 3-(1H-indol-6-yl)-3-(3-methoxyphenyl)propanoate;methyl (E)-3-(1H-indol-6-yl)prop-2-enoate

6-bromo-1H-indole;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropan-1-amine;methyl (E)-but-2-enoate;methyl 3-(1H-indol-6-yl)-3-(3-methoxyphenyl)propanoate;methyl (E)-3-(1H-indol-6-yl)prop-2-enoate (PubChem CID 159047394) has the molecular formula C82H86BrN7O10 and a molecular weight of 1409.53 g/mol. Its IUPAC name is 6-bromo-1H-indole;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropan-1-amine;methyl (E)-but-2-enoate;methyl 3-(1H-indol-6-yl)-3-(3-methoxyphenyl)propanoate;methyl (E)-3-(1H-indol-6-yl)prop-2-enoate.

Molecular Properties

Compound Name6-bromo-1H-indole;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropan-1-amine;methyl (E)-but-2-enoate;methyl 3-(1H-indol-6-yl)-3-(3-methoxyphenyl)propanoate;methyl (E)-3-(1H-indol-6-yl)prop-2-enoate
PubChem CID159047394
Molecular FormulaC82H86BrN7O10
Molecular Weight1409.53 g/mol
Exact Mass1407.56
IUPAC Name6-bromo-1H-indole;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropan-1-amine;methyl (E)-but-2-enoate;methyl 3-(1H-indol-6-yl)-3-(3-methoxyphenyl)propanoate;methyl (E)-3-(1H-indol-6-yl)prop-2-enoate
SMILESBrc1ccc2cc[nH]c2c1.C/C=C/C(=O)OC.CNC(=O)CC(c1cccc(OC)c1)c1ccc2cc[nH]c2c1.CNCCC(c1cccc(OC)c1)c1ccc2cc[nH]c2c1.COC(=O)/C=C/c1ccc2cc[nH]c2c1.COC(=O)CC(c1cccc(OC)c1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C19H20N2O2.C19H22N2O.C19H19NO3.C12H11NO2.C8H6BrN.C5H8O2/c1-20-19(22)12-17(14-4-3-5-16(10-14)23-2)15-7-6-13-8-9-21-18(13)11-15;1-20-10-9-18(15-4-3-5-17(12-15)22-2)16-7-6-14-8-11-21-19(14)13-16;1-22-16-5-3-4-14(10-16)17(12-19(21)23-2)15-7-6-13-8-9-20-18(13)11-15;1-15-12(14)5-3-9-2-4-10-6-7-13-11(10)8-9;9-7-2-1-6-3-4-10-8(6)5-7;1-3-4-5(6)7-2/h3-11,17,21H,12H2,1-2H3,(H,20,22);3-8,11-13,18,20-21H,9-10H2,1-2H3;3-11,17,20H,12H2,1-2H3;2-8,13H,1H3;1-5,10H;3-4H,1-2H3/b;;;5-3+;;4-3+
InChIKeyJWVDPOSFEGPIDW-YETQRZSSSA-N
XLogP17.25
TPSA226.67 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001409.53
LogP ≤ 517.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromophenyl)-3-N,5-N-bis[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 178252125
4-bromo-5-methoxy-1H-indole;2-bromo-1-methoxy-4-nitrobenzene;ethyl 3-(5-methoxy-1H-indol-4-yl)-3-phenylpropanoate;ethyl (E)-3-(5-methoxy-1H-indol-4-yl)-3-phenylprop-2-enoate;3-(5-methoxy-1H-indol-4-yl)-N-methyl-3-phenylpropanamide;3-(5-methoxy-1H-indol-4-yl)-N-methyl-3-phenylpropan-1-amine
CID 157222248
5-methoxy-1H-indole;4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;methyl 4-(bromomethyl)benzoate;methyl 4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate;piperidin-4-one
CID 157279319
3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine;methyl 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)propanoate
CID 157281981
4-bromo-3-isocyano-6-methoxy-1H-indole;ethyl 3-(3-isocyano-6-methoxy-1H-indol-4-yl)-3-phenylpropanoate;ethyl (E)-3-(3-isocyano-6-methoxy-1H-indol-4-yl)-3-phenylprop-2-enoate;3-(3-isocyano-6-methoxy-1H-indol-4-yl)-N-methyl-3-phenylpropan-1-amine;3-(3-isocyano-6-methoxy-1H-indol-4-yl)-3-phenylpropan-1-ol
CID 157533238
5-bromo-7-methoxy-1H-indole;carbanide;diiodomethane;ethyl 3-(7-methoxy-1H-indol-5-yl)-3-phenylpropanoate;ethyl (Z)-3-(7-methoxy-1H-indol-5-yl)-3-phenylprop-2-enoate;iodomethane;3-(7-methoxy-1H-indol-5-yl)-N-methyl-3-phenylpropanamide;3-(7-methoxy-1H-indol-5-yl)-N-methyl-3-phenylpropan-1-amine;triiodomethane;tetrakis(vanadium)
CID 157751312
3-[(3-bromo-5-methyl-1H-pyrrol-2-yl)methylidene]-6-pyridin-3-yl-1H-indol-2-one;3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;3-[(1,3-dimethylpyrrol-2-yl)methylidene]-6-phenyl-1H-indol-2-one;5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;5-methoxy-3-[(5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;5-methyl-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 157987816
3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione;3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione;deuterium monohydride
CID 158140153
6-bromo-1H-indole;tert-butyl 6-bromoindole-1-carboxylate;tert-butyl 6-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]indole-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate;7-(diethylamino)-3-(1H-indol-6-yl)-4-methylchromen-2-one
CID 158190157
4-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-4-oxobutanoic acid;1-(5-hydroxy-1H-indol-3-yl)-14-methyl-4-methylidene-9-prop-1-en-2-ylpentadecan-7-one;2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-methoxy-1H-indol-3-yl)ethanamine;2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine
CID 159003097
4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;3,4-dimethyl-1H-indole-7-carboxamide;3-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-1H-indole-7-carboxamide;methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate
CID 159239639
4-bromo-1H-indole;4-(2,3-dihydro-1H-indol-4-yl)-2,3-dihydro-1H-indole;4-[4-[1-(4-formyl-3-methoxybenzoyl)-2,3-dihydroindol-4-yl]-2,3-dihydroindole-1-carbonyl]-2-methoxybenzaldehyde;4-(1H-indol-4-yl)-1H-indole
CID 159310315

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-indole;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropan-1-amine;methyl (E)-but-2-enoate;methyl 3-(1H-indol-6-yl)-3-(3-methoxyphenyl)propanoate;methyl (E)-3-(1H-indol-6-yl)prop-2-enoate?
The IUPAC name of 6-bromo-1H-indole;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropan-1-amine;methyl (E)-but-2-enoate;methyl 3-(1H-indol-6-yl)-3-(3-methoxyphenyl)propanoate;methyl (E)-3-(1H-indol-6-yl)prop-2-enoate (CID 159047394) is 6-bromo-1H-indole;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropan-1-amine;methyl (E)-but-2-enoate;methyl 3-(1H-indol-6-yl)-3-(3-methoxyphenyl)propanoate;methyl (E)-3-(1H-indol-6-yl)prop-2-enoate.
What is the SMILES notation for 6-bromo-1H-indole;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropan-1-amine;methyl (E)-but-2-enoate;methyl 3-(1H-indol-6-yl)-3-(3-methoxyphenyl)propanoate;methyl (E)-3-(1H-indol-6-yl)prop-2-enoate?
The canonical SMILES for 6-bromo-1H-indole;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropan-1-amine;methyl (E)-but-2-enoate;methyl 3-(1H-indol-6-yl)-3-(3-methoxyphenyl)propanoate;methyl (E)-3-(1H-indol-6-yl)prop-2-enoate is Brc1ccc2cc[nH]c2c1.C/C=C/C(=O)OC.CNC(=O)CC(c1cccc(OC)c1)c1ccc2cc[nH]c2c1.CNCCC(c1cccc(OC)c1)c1ccc2cc[nH]c2c1.COC(=O)/C=C/c1ccc2cc[nH]c2c1.COC(=O)CC(c1cccc(OC)c1)c1ccc2cc[nH]c2c1.
What is the InChIKey of 6-bromo-1H-indole;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropan-1-amine;methyl (E)-but-2-enoate;methyl 3-(1H-indol-6-yl)-3-(3-methoxyphenyl)propanoate;methyl (E)-3-(1H-indol-6-yl)prop-2-enoate?
The InChIKey is JWVDPOSFEGPIDW-YETQRZSSSA-N. The full InChI is InChI=1S/C19H20N2O2.C19H22N2O.C19H19NO3.C12H11NO2.C8H6BrN.C5H8O2/c1-20-19(22)12-17(14-4-3-5-16(10-14)23-2)15-7-6-13-8-9-21-18(13)11-15;1-20-10-9-18(15-4-3-5-17(12-15)22-2)16-7-6-14-8-11-21-19(14)13-16;1-22-16-5-3-4-14(10-16)17(12-19(21)23-2)15-7-6-13-8-9-20-18(13)11-15;1-15-12(14)5-3-9-2-4-10-6-7-13-11(10)8-9;9-7-2-1-6-3-4-10-8(6)5-7;1-3-4-5(6)7-2/h3-11,17,21H,12H2,1-2H3,(H,20,22);3-8,11-13,18,20-21H,9-10H2,1-2H3;3-11,17,20H,12H2,1-2H3;2-8,13H,1H3;1-5,10H;3-4H,1-2H3/b;;;5-3+;;4-3+.
What are the key properties of 6-bromo-1H-indole;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropan-1-amine;methyl (E)-but-2-enoate;methyl 3-(1H-indol-6-yl)-3-(3-methoxyphenyl)propanoate;methyl (E)-3-(1H-indol-6-yl)prop-2-enoate?
6-bromo-1H-indole;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropan-1-amine;methyl (E)-but-2-enoate;methyl 3-(1H-indol-6-yl)-3-(3-methoxyphenyl)propanoate;methyl (E)-3-(1H-indol-6-yl)prop-2-enoate has a molecular weight of 1409.53 g/mol, XLogP of 17.25, 19 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-indole;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropan-1-amine;methyl (E)-but-2-enoate;methyl 3-(1H-indol-6-yl)-3-(3-methoxyphenyl)propanoate;methyl (E)-3-(1H-indol-6-yl)prop-2-enoate is sourced from PubChem (CID 159047394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).