6-bromo-7-methoxy-1H-indole;ethyl 3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;ethyl (Z)-3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(7-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(7-methoxy-1H-indol-6-yl)-3-phenylpropanoate

C87H88BrN7O11 — CID 161297816

IUPAC6-bromo-7-methoxy-1H-indole;ethyl 3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;ethyl (Z)-3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(7-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(7-methoxy-1H-indol-6-yl)-3-phenylpropanoate
SMILESCCOC(=O)/C=C(/c1ccccc1)c1ccc2cc[nH]c2c1OC.CCOC(=O)C=C(c1ccccc1)c1ccc2cc[nH]c2c1OC.CNCCC(c1ccccc1)c1ccc2cc[nH]c2c1OC.CNOC(=O)CC(c1ccccc1)c1ccc2cc[nH]c2c1OC.COc1c(Br)ccc2cc[nH]c12
InChIInChI=1S/2C20H19NO3.C19H20N2O3.C19H22N2O.C9H8BrNO/c2*1-3-24-18(22)13-17(14-7-5-4-6-8-14)16-10-9-15-11-12-21-19(15)20(16)23-2;1-20-24-17(22)12-16(13-6-4-3-5-7-13)15-9-8-14-10-11-21-18(14)19(15)23-2;1-20-12-11-16(14-6-4-3-5-7-14)17-9-8-15-10-13-21-18(15)19(17)22-2;1-12-9-7(10)3-2-6-4-5-11-8(6)9/h2*4-13,21H,3H2,1-2H3;3-11,16,20-21H,12H2,1-2H3;3-10,13,16,20-21H,11-12H2,1-2H3;2-5,11H,1H3/b17-13-;;;;
InChIKeyVHFAHNIUUVINRB-NMVMQANNSA-N
MW1487.60 g/mol
LogP18.58
Rot. Bonds23

About 6-bromo-7-methoxy-1H-indole;ethyl 3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;ethyl (Z)-3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(7-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(7-methoxy-1H-indol-6-yl)-3-phenylpropanoate

6-bromo-7-methoxy-1H-indole;ethyl 3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;ethyl (Z)-3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(7-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(7-methoxy-1H-indol-6-yl)-3-phenylpropanoate (PubChem CID 161297816) has the molecular formula C87H88BrN7O11 and a molecular weight of 1487.60 g/mol. Its IUPAC name is 6-bromo-7-methoxy-1H-indole;ethyl 3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;ethyl (Z)-3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(7-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(7-methoxy-1H-indol-6-yl)-3-phenylpropanoate.

Molecular Properties

Compound Name6-bromo-7-methoxy-1H-indole;ethyl 3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;ethyl (Z)-3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(7-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(7-methoxy-1H-indol-6-yl)-3-phenylpropanoate
PubChem CID161297816
Molecular FormulaC87H88BrN7O11
Molecular Weight1487.60 g/mol
Exact Mass1485.57
IUPAC Name6-bromo-7-methoxy-1H-indole;ethyl 3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;ethyl (Z)-3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(7-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(7-methoxy-1H-indol-6-yl)-3-phenylpropanoate
SMILESCCOC(=O)/C=C(/c1ccccc1)c1ccc2cc[nH]c2c1OC.CCOC(=O)C=C(c1ccccc1)c1ccc2cc[nH]c2c1OC.CNCCC(c1ccccc1)c1ccc2cc[nH]c2c1OC.CNOC(=O)CC(c1ccccc1)c1ccc2cc[nH]c2c1OC.COc1c(Br)ccc2cc[nH]c12
InChIInChI=1S/2C20H19NO3.C19H20N2O3.C19H22N2O.C9H8BrNO/c2*1-3-24-18(22)13-17(14-7-5-4-6-8-14)16-10-9-15-11-12-21-19(15)20(16)23-2;1-20-24-17(22)12-16(13-6-4-3-5-7-13)15-9-8-14-10-11-21-18(14)19(15)23-2;1-20-12-11-16(14-6-4-3-5-7-14)17-9-8-15-10-13-21-18(15)19(17)22-2;1-12-9-7(10)3-2-6-4-5-11-8(6)9/h2*4-13,21H,3H2,1-2H3;3-11,16,20-21H,12H2,1-2H3;3-10,13,16,20-21H,11-12H2,1-2H3;2-5,11H,1H3/b17-13-;;;;
InChIKeyVHFAHNIUUVINRB-NMVMQANNSA-N
XLogP18.58
TPSA228.06 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001487.60
LogP ≤ 518.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 6-bromo-7-methoxy-1H-indole;ethyl 3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;ethyl (Z)-3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(7-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(7-methoxy-1H-indol-6-yl)-3-phenylpropanoate with MolForge

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Related Compounds

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-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
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
ethyl 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate;ethyl (E)-3-(5-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(5-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate
CID 160522729
4-bromo-7-methoxy-1H-indole;4-bromo-1-methoxy-2-nitrobenzene;ethyl 3-(7-methoxy-1H-indol-4-yl)-3-phenylpropanoate;ethyl (E)-3-(7-methoxy-1H-indol-4-yl)-3-phenylprop-2-enoate;3-(7-methoxy-1H-indol-4-yl)-N-methyl-3-phenylpropanamide;3-(7-methoxy-1H-indol-4-yl)-N-methyl-3-phenylpropan-1-amine
CID 161066231
6-bromo-7-methoxy-1H-indole;ethyl (Z)-3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;ethyl (E)-3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(7-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(7-methoxy-1H-indol-6-yl)-3-phenylpropanoate
CID 161297815
ethyl 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate;ethyl (E)-3-(4-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate
CID 161514271
ethyl 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate;ethyl 3-(4-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate
CID 161514272

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methoxy-1H-indole;ethyl 3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;ethyl (Z)-3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(7-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(7-methoxy-1H-indol-6-yl)-3-phenylpropanoate?
The IUPAC name of 6-bromo-7-methoxy-1H-indole;ethyl 3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;ethyl (Z)-3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(7-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(7-methoxy-1H-indol-6-yl)-3-phenylpropanoate (CID 161297816) is 6-bromo-7-methoxy-1H-indole;ethyl 3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;ethyl (Z)-3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(7-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(7-methoxy-1H-indol-6-yl)-3-phenylpropanoate.
What is the SMILES notation for 6-bromo-7-methoxy-1H-indole;ethyl 3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;ethyl (Z)-3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(7-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(7-methoxy-1H-indol-6-yl)-3-phenylpropanoate?
The canonical SMILES for 6-bromo-7-methoxy-1H-indole;ethyl 3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;ethyl (Z)-3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(7-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(7-methoxy-1H-indol-6-yl)-3-phenylpropanoate is CCOC(=O)/C=C(/c1ccccc1)c1ccc2cc[nH]c2c1OC.CCOC(=O)C=C(c1ccccc1)c1ccc2cc[nH]c2c1OC.CNCCC(c1ccccc1)c1ccc2cc[nH]c2c1OC.CNOC(=O)CC(c1ccccc1)c1ccc2cc[nH]c2c1OC.COc1c(Br)ccc2cc[nH]c12.
What is the InChIKey of 6-bromo-7-methoxy-1H-indole;ethyl 3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;ethyl (Z)-3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(7-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(7-methoxy-1H-indol-6-yl)-3-phenylpropanoate?
The InChIKey is VHFAHNIUUVINRB-NMVMQANNSA-N. The full InChI is InChI=1S/2C20H19NO3.C19H20N2O3.C19H22N2O.C9H8BrNO/c2*1-3-24-18(22)13-17(14-7-5-4-6-8-14)16-10-9-15-11-12-21-19(15)20(16)23-2;1-20-24-17(22)12-16(13-6-4-3-5-7-13)15-9-8-14-10-11-21-18(14)19(15)23-2;1-20-12-11-16(14-6-4-3-5-7-14)17-9-8-15-10-13-21-18(15)19(17)22-2;1-12-9-7(10)3-2-6-4-5-11-8(6)9/h2*4-13,21H,3H2,1-2H3;3-11,16,20-21H,12H2,1-2H3;3-10,13,16,20-21H,11-12H2,1-2H3;2-5,11H,1H3/b17-13-;;;;.
What are the key properties of 6-bromo-7-methoxy-1H-indole;ethyl 3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;ethyl (Z)-3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(7-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(7-methoxy-1H-indol-6-yl)-3-phenylpropanoate?
6-bromo-7-methoxy-1H-indole;ethyl 3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;ethyl (Z)-3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(7-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(7-methoxy-1H-indol-6-yl)-3-phenylpropanoate has a molecular weight of 1487.60 g/mol, XLogP of 18.58, 23 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methoxy-1H-indole;ethyl 3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;ethyl (Z)-3-(7-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(7-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(7-methoxy-1H-indol-6-yl)-3-phenylpropanoate is sourced from PubChem (CID 161297816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).