[6-methoxy-2-(4-methylpiperazin-1-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone

C24H28N2O6 — CID 11510481

IUPAC[6-methoxy-2-(4-methylpiperazin-1-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N3CCN(C)CC3)oc2c1
InChIInChI=1S/C24H28N2O6/c1-25-8-10-26(11-9-25)24-21(17-7-6-16(28-2)14-18(17)32-24)22(27)15-12-19(29-3)23(31-5)20(13-15)30-4/h6-7,12-14H,8-11H2,1-5H3
InChIKeyBEHRRRCMHAADPI-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.45
Rot. Bonds7

About [6-methoxy-2-(4-methylpiperazin-1-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone

[6-methoxy-2-(4-methylpiperazin-1-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 11510481) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is [6-methoxy-2-(4-methylpiperazin-1-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[6-methoxy-2-(4-methylpiperazin-1-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID11510481
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name[6-methoxy-2-(4-methylpiperazin-1-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N3CCN(C)CC3)oc2c1
InChIInChI=1S/C24H28N2O6/c1-25-8-10-26(11-9-25)24-21(17-7-6-16(28-2)14-18(17)32-24)22(27)15-12-19(29-3)23(31-5)20(13-15)30-4/h6-7,12-14H,8-11H2,1-5H3
InChIKeyBEHRRRCMHAADPI-UHFFFAOYSA-N
XLogP3.45
TPSA73.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2-(4-methylpiperazin-1-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [6-methoxy-2-(4-methylpiperazin-1-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 11510481) is [6-methoxy-2-(4-methylpiperazin-1-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [6-methoxy-2-(4-methylpiperazin-1-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [6-methoxy-2-(4-methylpiperazin-1-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N3CCN(C)CC3)oc2c1.
What is the InChIKey of [6-methoxy-2-(4-methylpiperazin-1-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is BEHRRRCMHAADPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-25-8-10-26(11-9-25)24-21(17-7-6-16(28-2)14-18(17)32-24)22(27)15-12-19(29-3)23(31-5)20(13-15)30-4/h6-7,12-14H,8-11H2,1-5H3.
What are the key properties of [6-methoxy-2-(4-methylpiperazin-1-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[6-methoxy-2-(4-methylpiperazin-1-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 440.50 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2-(4-methylpiperazin-1-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 11510481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).