ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate

C17H22N2O4 — CID 11623861

IUPACethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OCCN3CCOCC3)ccc2[nH]1
InChIInChI=1S/C17H22N2O4/c1-2-22-17(20)16-12-13-11-14(3-4-15(13)18-16)23-10-7-19-5-8-21-9-6-19/h3-4,11-12,18H,2,5-10H2,1H3
InChIKeyUYHACLLMJGMCOT-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.06
Rot. Bonds6

About ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate

ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate (PubChem CID 11623861) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate
PubChem CID11623861
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Nameethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OCCN3CCOCC3)ccc2[nH]1
InChIInChI=1S/C17H22N2O4/c1-2-22-17(20)16-12-13-11-14(3-4-15(13)18-16)23-10-7-19-5-8-21-9-6-19/h3-4,11-12,18H,2,5-10H2,1H3
InChIKeyUYHACLLMJGMCOT-UHFFFAOYSA-N
XLogP2.06
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate
CID 18668888
methyl (2S)-2-[[5-(2-morpholin-4-ylethoxy)-1H-indole-2-carbonyl]amino]-3-phenylpropanoate
CID 20604417
ethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate
CID 139270847
1-[5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]ethanone
CID 90083469
ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate
CID 172554681
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
6-ethoxy-3-(3-morpholin-4-ylpropyl)-1H-quinolin-2-one
CID 170870835
N-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole
CID 159741679
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-[2-[(2-methyl-1-benzofuran-6-yl)oxy]ethyl]morpholine
CID 143026753
ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate
CID 68697506
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate (CID 11623861) is ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(OCCN3CCOCC3)ccc2[nH]1.
What is the InChIKey of ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate?
The InChIKey is UYHACLLMJGMCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-2-22-17(20)16-12-13-11-14(3-4-15(13)18-16)23-10-7-19-5-8-21-9-6-19/h3-4,11-12,18H,2,5-10H2,1H3.
What are the key properties of ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate?
ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate is sourced from PubChem (CID 11623861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).