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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Related Compounds

Benzofuranone deriv. 8
CID 6538902
5,7-Dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]-8-propan-2-yloxychromen-4-one
CID 155301364
5,7-Dihydroxy-2-(4-piperazin-1-ylphenyl)-8-propan-2-yloxychromen-4-one
CID 155301374
(2E)-2-[[4-(diethylamino)phenyl]methylidene]-6,7-dihydroxy-1-benzofuran-3-one
CID 808704
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CID 90643992
[4-(Dimethylamino)phenyl]-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone
CID 90670321
7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-4,9-dimethoxy-6-(morpholin-4-ylmethyl)furo[3,2-g]chromen-5-one
CID 90680533
(2Z)-4-hydroxy-6-methoxy-2-[(4-piperidin-1-ylphenyl)methylidene]-1-benzofuran-3-one
CID 127034503
N-[4-(5-hydroxy-7-methoxy-4-oxo-8-propan-2-yloxychromen-2-yl)phenyl]-3,5-dimethylpiperazine-1-carboxamide
CID 164609123
2-(4-(dimethylamino)phenyl)-7,8-dihydroxy-4H-chromen-4-one
CID 44610701
2-[4-(Dimethylamino)phenyl]-5-fluoro-7,8-dihydroxychromen-4-one
CID 67608124
5-Hydroxy-8-methoxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-(4-nitrophenyl)chromen-4-one
CID 141195492

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).