7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane

C15H20N2O2 — CID 82665866

IUPAC7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane
SMILESCOc1ccc2occ(C3CCNCCN3C)c2c1
InChIInChI=1S/C15H20N2O2/c1-17-8-7-16-6-5-14(17)13-10-19-15-4-3-11(18-2)9-12(13)15/h3-4,9-10,14,16H,5-8H2,1-2H3
InChIKeyMMSPPBZDVISQDB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.41
Rot. Bonds2

About 7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane

7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane (PubChem CID 82665866) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane.

Molecular Properties

Compound Name7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane
PubChem CID82665866
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane
SMILESCOc1ccc2occ(C3CCNCCN3C)c2c1
InChIInChI=1S/C15H20N2O2/c1-17-8-7-16-6-5-14(17)13-10-19-15-4-3-11(18-2)9-12(13)15/h3-4,9-10,14,16H,5-8H2,1-2H3
InChIKeyMMSPPBZDVISQDB-UHFFFAOYSA-N
XLogP2.41
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane 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

7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane
CID 82665869
7-(4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82286366
7-(3-chloro-4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82623320
6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole
CID 84637866
5-methoxy-1-methyl-3-piperazin-1-yl-2,3-dihydroindole
CID 82023787
2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine
CID 82666177
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine
CID 54914447
7-(3-ethoxyphenyl)-1-methyl-1,4-diazepane
CID 82290812
5-methoxy-1-benzofuran-3-carbaldehyde
CID 25131833
4-(5-methoxy-1-benzofuran-2-yl)piperidine;hydrochloride
CID 23312240
2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
CID 110488784
9-methoxy-3,4-dimethyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine
CID 164872528

Frequently Asked Questions

What is the IUPAC name of 7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane?
The IUPAC name of 7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane (CID 82665866) is 7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane.
What is the SMILES notation for 7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane?
The canonical SMILES for 7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane is COc1ccc2occ(C3CCNCCN3C)c2c1.
What is the InChIKey of 7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane?
The InChIKey is MMSPPBZDVISQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17-8-7-16-6-5-14(17)13-10-19-15-4-3-11(18-2)9-12(13)15/h3-4,9-10,14,16H,5-8H2,1-2H3.
What are the key properties of 7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane?
7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane has a molecular weight of 260.34 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane is sourced from PubChem (CID 82665866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).