ethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate chloride

C20H27BrClN2O5- — CID 53350812

IUPACethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate chloride
SMILESCCOC(=O)c1c(C)n(CC(O)CN2CCOCC2)c2cc(Br)c(OC)cc12.[Cl-]
InChIInChI=1S/C20H27BrN2O5.ClH/c1-4-28-20(25)19-13(2)23(12-14(24)11-22-5-7-27-8-6-22)17-10-16(21)18(26-3)9-15(17)19;/h9-10,14,24H,4-8,11-12H2,1-3H3;1H/p-1
InChIKeyPSJLAXUWMLFCPI-UHFFFAOYSA-M
MW490.80 g/mol
LogP-0.41
Rot. Bonds7

About ethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate chloride

ethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate chloride (PubChem CID 53350812) has the molecular formula C20H27BrClN2O5- and a molecular weight of 490.80 g/mol. Its IUPAC name is ethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate chloride.

Molecular Properties

Compound Nameethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate chloride
PubChem CID53350812
Molecular FormulaC20H27BrClN2O5-
Molecular Weight490.80 g/mol
Exact Mass489.08
IUPAC Nameethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate chloride
SMILESCCOC(=O)c1c(C)n(CC(O)CN2CCOCC2)c2cc(Br)c(OC)cc12.[Cl-]
InChIInChI=1S/C20H27BrN2O5.ClH/c1-4-28-20(25)19-13(2)23(12-14(24)11-22-5-7-27-8-6-22)17-10-16(21)18(26-3)9-15(17)19;/h9-10,14,24H,4-8,11-12H2,1-3H3;1H/p-1
InChIKeyPSJLAXUWMLFCPI-UHFFFAOYSA-M
XLogP-0.41
TPSA73.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.80
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate chloride with MolForge

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Related Compounds

ethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate;hydrochloride
CID 2838143
ethyl 6-bromo-1-[3-(diethylamino)-2-hydroxypropyl]-5-methoxy-2-methylindole-3-carboxylate chloride
CID 53351000
ethyl 6-bromo-5-methoxy-1,2-dimethylindole-3-carboxylate
CID 748686
ethyl 6-bromo-5-methoxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
CID 1124516
ethyl 3-(2-hydroxy-3-morpholin-4-ylpropyl)-1,5,7-trimethyl-4-oxophthalazine-6-carboxylate
CID 15075899
ethyl 6-bromo-1-butyl-5-(2-ethoxy-2-oxoethoxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylate
CID 10744641
1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol
CID 167588566
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
hydron;1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;chloride
CID 648761
ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate
CID 56827922
ethyl 6-bromo-5-methoxy-1-phenyl-2-(piperazin-1-ylmethyl)indole-3-carboxylate
CID 5300753

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate chloride?
The IUPAC name of ethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate chloride (CID 53350812) is ethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate chloride.
What is the SMILES notation for ethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate chloride?
The canonical SMILES for ethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate chloride is CCOC(=O)c1c(C)n(CC(O)CN2CCOCC2)c2cc(Br)c(OC)cc12.[Cl-].
What is the InChIKey of ethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate chloride?
The InChIKey is PSJLAXUWMLFCPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H27BrN2O5.ClH/c1-4-28-20(25)19-13(2)23(12-14(24)11-22-5-7-27-8-6-22)17-10-16(21)18(26-3)9-15(17)19;/h9-10,14,24H,4-8,11-12H2,1-3H3;1H/p-1.
What are the key properties of ethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate chloride?
ethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate chloride has a molecular weight of 490.80 g/mol, XLogP of -0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate chloride is sourced from PubChem (CID 53350812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).