ethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate

C24H23BrN2O2 — CID 170078093

IUPACethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate
SMILESCCOC(=O)c1c(CNC)n(C)c2cc(Br)c(-c3cccc4ccccc34)cc12
InChIInChI=1S/C24H23BrN2O2/c1-4-29-24(28)23-19-12-18(17-11-7-9-15-8-5-6-10-16(15)17)20(25)13-21(19)27(3)22(23)14-26-2/h5-13,26H,4,14H2,1-3H3
InChIKeyVOVHZRKWZFDMHR-UHFFFAOYSA-N
MW451.36 g/mol
LogP5.66
Rot. Bonds5

About ethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate

ethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate (PubChem CID 170078093) has the molecular formula C24H23BrN2O2 and a molecular weight of 451.36 g/mol. Its IUPAC name is ethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate
PubChem CID170078093
Molecular FormulaC24H23BrN2O2
Molecular Weight451.36 g/mol
Exact Mass450.09
IUPAC Nameethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate
SMILESCCOC(=O)c1c(CNC)n(C)c2cc(Br)c(-c3cccc4ccccc34)cc12
InChIInChI=1S/C24H23BrN2O2/c1-4-29-24(28)23-19-12-18(17-11-7-9-15-8-5-6-10-16(15)17)20(25)13-21(19)27(3)22(23)14-26-2/h5-13,26H,4,14H2,1-3H3
InChIKeyVOVHZRKWZFDMHR-UHFFFAOYSA-N
XLogP5.66
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-methyl-2-(methylaminomethyl)-5-phenylindole-3-carboxylate
CID 170077347
ethyl 2-(aminomethyl)-6-(cyclopenten-1-yl)-1-methyl-5-naphthalen-1-ylindole-3-carboxylate
CID 170076574
benzyl-[(6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methylindol-2-yl)methyl]azanium
CID 2265304
ethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate
CID 170071224
diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680
ethyl 6-bromo-2-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylindole-3-carboxylate
CID 141375125
(6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methylindol-2-yl)methyl-dimethylazanium
CID 3261306
(6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methylindol-2-yl)methyl-diethylazanium
CID 6962473
ethyl 2-(bromomethyl)-1-methyl-6-naphthalen-2-ylindole-3-carboxylate
CID 177268383
ethyl 6-bromo-2-(3-bromopropyl)-1-methyl-5-phenylmethoxyindole-3-carboxylate
CID 91800373
ethyl 6-bromo-5-methoxy-1,2-dimethylindole-3-carboxylate
CID 748686
3-[(6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methylindol-2-yl)methylsulfanyl]benzoic acid
CID 129316193

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate?
The IUPAC name of ethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate (CID 170078093) is ethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate is CCOC(=O)c1c(CNC)n(C)c2cc(Br)c(-c3cccc4ccccc34)cc12.
What is the InChIKey of ethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate?
The InChIKey is VOVHZRKWZFDMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O2/c1-4-29-24(28)23-19-12-18(17-11-7-9-15-8-5-6-10-16(15)17)20(25)13-21(19)27(3)22(23)14-26-2/h5-13,26H,4,14H2,1-3H3.
What are the key properties of ethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate?
ethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate has a molecular weight of 451.36 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate is sourced from PubChem (CID 170078093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).