ethyl 6-bromo-1-butyl-5-(2-ethoxy-2-oxoethoxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylate

C24H33BrN2O6 — CID 10744641

IUPACethyl 6-bromo-1-butyl-5-(2-ethoxy-2-oxoethoxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylate
SMILESCCCCn1c(CN2CCOCC2)c(C(=O)OCC)c2cc(OCC(=O)OCC)c(Br)cc21
InChIInChI=1S/C24H33BrN2O6/c1-4-7-8-27-19-14-18(25)21(33-16-22(28)31-5-2)13-17(19)23(24(29)32-6-3)20(27)15-26-9-11-30-12-10-26/h13-14H,4-12,15-16H2,1-3H3
InChIKeyUZKMNGJXVYESHB-UHFFFAOYSA-N
MW525.44 g/mol
LogP4.15
Rot. Bonds11

About ethyl 6-bromo-1-butyl-5-(2-ethoxy-2-oxoethoxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylate

ethyl 6-bromo-1-butyl-5-(2-ethoxy-2-oxoethoxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylate (PubChem CID 10744641) has the molecular formula C24H33BrN2O6 and a molecular weight of 525.44 g/mol. Its IUPAC name is ethyl 6-bromo-1-butyl-5-(2-ethoxy-2-oxoethoxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-1-butyl-5-(2-ethoxy-2-oxoethoxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylate
PubChem CID10744641
Molecular FormulaC24H33BrN2O6
Molecular Weight525.44 g/mol
Exact Mass524.15
IUPAC Nameethyl 6-bromo-1-butyl-5-(2-ethoxy-2-oxoethoxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylate
SMILESCCCCn1c(CN2CCOCC2)c(C(=O)OCC)c2cc(OCC(=O)OCC)c(Br)cc21
InChIInChI=1S/C24H33BrN2O6/c1-4-7-8-27-19-14-18(25)21(33-16-22(28)31-5-2)13-17(19)23(24(29)32-6-3)20(27)15-26-9-11-30-12-10-26/h13-14H,4-12,15-16H2,1-3H3
InChIKeyUZKMNGJXVYESHB-UHFFFAOYSA-N
XLogP4.15
TPSA79.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 6-bromo-1-butyl-5-(2-ethoxy-2-oxoethoxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylate with MolForge

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Related Compounds

ethyl 6-bromo-5-methoxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
CID 1124516
ethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate chloride
CID 53350812
ethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate;hydrochloride
CID 2838143
ethyl 2-[(2-aminophenyl)sulfanylmethyl]-6-bromo-1-butyl-5-methoxyindole-3-carboxylate
CID 124799782
1,4-dioxane;bis(ethyl 6-bromo-5-methoxy-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1-phenylindole-3-carboxylate)
CID 175666889
bis(1,4-dioxane);ethyl 6-bromo-5-methoxy-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1-phenylindole-3-carboxylate
CID 90484687
ethyl 6-bromo-5-methoxy-1-phenyl-2-(piperazin-1-ylmethyl)indole-3-carboxylate
CID 5300753
1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94959200
ethyl 6-bromo-2-methyl-5-(2-oxo-2-phenylmethoxyethoxy)-1-benzofuran-3-carboxylate
CID 979362
ethyl 6-bromo-5-hydroxy-1-methyl-4-(morpholin-4-ylmethyl)-2-(1-phenylethylsulfanylmethyl)indole-3-carboxylate
CID 23159595
ethyl 5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
CID 71694791
ethyl 6-bromo-2-(3-bromopropyl)-1-methyl-5-phenylmethoxyindole-3-carboxylate
CID 91800373

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-1-butyl-5-(2-ethoxy-2-oxoethoxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylate?
The IUPAC name of ethyl 6-bromo-1-butyl-5-(2-ethoxy-2-oxoethoxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylate (CID 10744641) is ethyl 6-bromo-1-butyl-5-(2-ethoxy-2-oxoethoxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-1-butyl-5-(2-ethoxy-2-oxoethoxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-1-butyl-5-(2-ethoxy-2-oxoethoxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylate is CCCCn1c(CN2CCOCC2)c(C(=O)OCC)c2cc(OCC(=O)OCC)c(Br)cc21.
What is the InChIKey of ethyl 6-bromo-1-butyl-5-(2-ethoxy-2-oxoethoxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylate?
The InChIKey is UZKMNGJXVYESHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33BrN2O6/c1-4-7-8-27-19-14-18(25)21(33-16-22(28)31-5-2)13-17(19)23(24(29)32-6-3)20(27)15-26-9-11-30-12-10-26/h13-14H,4-12,15-16H2,1-3H3.
What are the key properties of ethyl 6-bromo-1-butyl-5-(2-ethoxy-2-oxoethoxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylate?
ethyl 6-bromo-1-butyl-5-(2-ethoxy-2-oxoethoxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylate has a molecular weight of 525.44 g/mol, XLogP of 4.15, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-1-butyl-5-(2-ethoxy-2-oxoethoxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylate is sourced from PubChem (CID 10744641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).