ethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride

C17H22ClNO5 — CID 90484357

IUPACethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(CN2CCOCC2)oc2ccc(OC)cc12.Cl
InChIInChI=1S/C17H21NO5.ClH/c1-3-22-17(19)16-13-10-12(20-2)4-5-14(13)23-15(16)11-18-6-8-21-9-7-18;/h4-5,10H,3,6-9,11H2,1-2H3;1H
InChIKeyOKEBISFYIUPKTQ-UHFFFAOYSA-N
MW355.82 g/mol
LogP2.87
Rot. Bonds5

About ethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride

ethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride (PubChem CID 90484357) has the molecular formula C17H22ClNO5 and a molecular weight of 355.82 g/mol. Its IUPAC name is ethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride
PubChem CID90484357
Molecular FormulaC17H22ClNO5
Molecular Weight355.82 g/mol
Exact Mass355.12
IUPAC Nameethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(CN2CCOCC2)oc2ccc(OC)cc12.Cl
InChIInChI=1S/C17H21NO5.ClH/c1-3-22-17(19)16-13-10-12(20-2)4-5-14(13)23-15(16)11-18-6-8-21-9-7-18;/h4-5,10H,3,6-9,11H2,1-2H3;1H
InChIKeyOKEBISFYIUPKTQ-UHFFFAOYSA-N
XLogP2.87
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride
CID 2917341
ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate chloride
CID 53313482
ethyl 5-methoxy-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-1-benzofuran-3-carboxylate
CID 686798
ethyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-1-benzofuran-3-carboxylate
CID 49229636
ethyl 2-[(carbamothioylamino)methyl]-5-methoxy-1-benzofuran-3-carboxylate;hydrobromide
CID 131882913
ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate
CID 19032367
ethyl 2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-carboxylate
CID 49230182
ethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate
CID 1283491
tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate
CID 11733003
ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate
CID 18668888
methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate
CID 67322163
5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid
CID 131696400

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride (CID 90484357) is ethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride is CCOC(=O)c1c(CN2CCOCC2)oc2ccc(OC)cc12.Cl.
What is the InChIKey of ethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride?
The InChIKey is OKEBISFYIUPKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5.ClH/c1-3-22-17(19)16-13-10-12(20-2)4-5-14(13)23-15(16)11-18-6-8-21-9-7-18;/h4-5,10H,3,6-9,11H2,1-2H3;1H.
What are the key properties of ethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride?
ethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride has a molecular weight of 355.82 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride is sourced from PubChem (CID 90484357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).