7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane

C15H20N2O2 — CID 82665869

IUPAC7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane
SMILESCOc1ccc2cc(C3CCNCCN3C)oc2c1
InChIInChI=1S/C15H20N2O2/c1-17-8-7-16-6-5-13(17)15-9-11-3-4-12(18-2)10-14(11)19-15/h3-4,9-10,13,16H,5-8H2,1-2H3
InChIKeyQTJVZXQURQXTEH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.41
Rot. Bonds2

About 7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane

7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane (PubChem CID 82665869) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane.

Molecular Properties

Compound Name7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane
PubChem CID82665869
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane
SMILESCOc1ccc2cc(C3CCNCCN3C)oc2c1
InChIInChI=1S/C15H20N2O2/c1-17-8-7-16-6-5-13(17)15-9-11-3-4-12(18-2)10-14(11)19-15/h3-4,9-10,13,16H,5-8H2,1-2H3
InChIKeyQTJVZXQURQXTEH-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

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Related Compounds

7-(4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82286366
7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane
CID 82665866
4-(5-methoxy-1-benzofuran-2-yl)piperidine;hydrochloride
CID 23312240
7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one
CID 39161891
7-(3-chloro-4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82623320
3-piperidin-4-ylpropyl 6-methoxy-1-benzofuran-2-carboxylate
CID 171781666
6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole
CID 84637866
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium
CID 23312199
7-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]chromen-2-one
CID 120957544
7-(3-ethoxyphenyl)-1-methyl-1,4-diazepane
CID 82290812
7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane
CID 130117727

Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane?
The IUPAC name of 7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane (CID 82665869) is 7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane.
What is the SMILES notation for 7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane?
The canonical SMILES for 7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane is COc1ccc2cc(C3CCNCCN3C)oc2c1.
What is the InChIKey of 7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane?
The InChIKey is QTJVZXQURQXTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17-8-7-16-6-5-13(17)15-9-11-3-4-12(18-2)10-14(11)19-15/h3-4,9-10,13,16H,5-8H2,1-2H3.
What are the key properties of 7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane?
7-(6-methoxy-1-benzofuran-2-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-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane is sourced from PubChem (CID 82665869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).