ethyl 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride

C18H25ClN2O4 — CID 2917341

IUPACethyl 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(CN2CCN(C)CC2)oc2ccc(OC)cc12.Cl
InChIInChI=1S/C18H24N2O4.ClH/c1-4-23-18(21)17-14-11-13(22-3)5-6-15(14)24-16(17)12-20-9-7-19(2)8-10-20;/h5-6,11H,4,7-10,12H2,1-3H3;1H
InChIKeyGKIGSGHVFOCYSZ-UHFFFAOYSA-N
MW368.86 g/mol
LogP2.79
Rot. Bonds5

About ethyl 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride

ethyl 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride (PubChem CID 2917341) has the molecular formula C18H25ClN2O4 and a molecular weight of 368.86 g/mol. Its IUPAC name is ethyl 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride
PubChem CID2917341
Molecular FormulaC18H25ClN2O4
Molecular Weight368.86 g/mol
Exact Mass368.15
IUPAC Nameethyl 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(CN2CCN(C)CC2)oc2ccc(OC)cc12.Cl
InChIInChI=1S/C18H24N2O4.ClH/c1-4-23-18(21)17-14-11-13(22-3)5-6-15(14)24-16(17)12-20-9-7-19(2)8-10-20;/h5-6,11H,4,7-10,12H2,1-3H3;1H
InChIKeyGKIGSGHVFOCYSZ-UHFFFAOYSA-N
XLogP2.79
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride
CID 90484357
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 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate
CID 1283491
ethyl 2-[(carbamothioylamino)methyl]-5-methoxy-1-benzofuran-3-carboxylate;hydrobromide
CID 131882913
ethyl 4,6-dibromo-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-5-methoxy-1-benzofuran-3-carboxylate
CID 19661898
ethyl 2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-carboxylate
CID 49230182
tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate
CID 11733003
2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 62273770
ethyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-1-benzofuran-3-carboxylate
CID 49229636
5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid
CID 131696400
ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate
CID 3124075

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride (CID 2917341) is ethyl 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride is CCOC(=O)c1c(CN2CCN(C)CC2)oc2ccc(OC)cc12.Cl.
What is the InChIKey of ethyl 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride?
The InChIKey is GKIGSGHVFOCYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4.ClH/c1-4-23-18(21)17-14-11-13(22-3)5-6-15(14)24-16(17)12-20-9-7-19(2)8-10-20;/h5-6,11H,4,7-10,12H2,1-3H3;1H.
What are the key properties of ethyl 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride?
ethyl 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride has a molecular weight of 368.86 g/mol, XLogP of 2.79, 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-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride is sourced from PubChem (CID 2917341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).