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

C16H20ClNO4 — CID 6603178

IUPACethyl 3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1oc2ccccc2c1CN1CCOCC1.Cl
InChIInChI=1S/C16H19NO4.ClH/c1-2-20-16(18)15-13(11-17-7-9-19-10-8-17)12-5-3-4-6-14(12)21-15;/h3-6H,2,7-11H2,1H3;1H
InChIKeyGGQGQTYOYZWXLH-UHFFFAOYSA-N
MW325.79 g/mol
LogP2.86
Rot. Bonds4

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

ethyl 3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride (PubChem CID 6603178) has the molecular formula C16H20ClNO4 and a molecular weight of 325.79 g/mol. Its IUPAC name is ethyl 3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride
PubChem CID6603178
Molecular FormulaC16H20ClNO4
Molecular Weight325.79 g/mol
Exact Mass325.11
IUPAC Nameethyl 3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1oc2ccccc2c1CN1CCOCC1.Cl
InChIInChI=1S/C16H19NO4.ClH/c1-2-20-16(18)15-13(11-17-7-9-19-10-8-17)12-5-3-4-6-14(12)21-15;/h3-6H,2,7-11H2,1H3;1H
InChIKeyGGQGQTYOYZWXLH-UHFFFAOYSA-N
XLogP2.86
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride (CID 6603178) is ethyl 3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride is CCOC(=O)c1oc2ccccc2c1CN1CCOCC1.Cl.
What is the InChIKey of ethyl 3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride?
The InChIKey is GGQGQTYOYZWXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4.ClH/c1-2-20-16(18)15-13(11-17-7-9-19-10-8-17)12-5-3-4-6-14(12)21-15;/h3-6H,2,7-11H2,1H3;1H.
What are the key properties of ethyl 3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride?
ethyl 3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride has a molecular weight of 325.79 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride is sourced from PubChem (CID 6603178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).