8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one

C25H24N2O6 — CID 155535656

IUPAC8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one
SMILESCN1CCN(c2ccc(-c3cc(=O)c4c(O)cc(O)c(OCc5ccco5)c4o3)cc2)CC1
InChIInChI=1S/C25H24N2O6/c1-26-8-10-27(11-9-26)17-6-4-16(5-7-17)22-14-20(29)23-19(28)13-21(30)24(25(23)33-22)32-15-18-3-2-12-31-18/h2-7,12-14,28,30H,8-11,15H2,1H3
InChIKeyHWOAZIGVZXGCAO-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.80
Rot. Bonds5

About 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one

8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one (PubChem CID 155535656) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one.

Molecular Properties

Compound Name8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one
PubChem CID155535656
Molecular FormulaC25H24N2O6
Molecular Weight448.48 g/mol
Exact Mass448.16
IUPAC Name8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one
SMILESCN1CCN(c2ccc(-c3cc(=O)c4c(O)cc(O)c(OCc5ccco5)c4o3)cc2)CC1
InChIInChI=1S/C25H24N2O6/c1-26-8-10-27(11-9-26)17-6-4-16(5-7-17)22-14-20(29)23-19(28)13-21(30)24(25(23)33-22)32-15-18-3-2-12-31-18/h2-7,12-14,28,30H,8-11,15H2,1H3
InChIKeyHWOAZIGVZXGCAO-UHFFFAOYSA-N
XLogP3.80
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one?
The IUPAC name of 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one (CID 155535656) is 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one.
What is the SMILES notation for 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one?
The canonical SMILES for 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one is CN1CCN(c2ccc(-c3cc(=O)c4c(O)cc(O)c(OCc5ccco5)c4o3)cc2)CC1.
What is the InChIKey of 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one?
The InChIKey is HWOAZIGVZXGCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6/c1-26-8-10-27(11-9-26)17-6-4-16(5-7-17)22-14-20(29)23-19(28)13-21(30)24(25(23)33-22)32-15-18-3-2-12-31-18/h2-7,12-14,28,30H,8-11,15H2,1H3.
What are the key properties of 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one?
8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one has a molecular weight of 448.48 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one is sourced from PubChem (CID 155535656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).