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

C25H28N2O5 — CID 155560694

IUPAC8-cyclopentyloxy-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one
SMILESCN1CCN(c2ccc(-c3cc(=O)c4c(O)cc(O)c(OC5CCCC5)c4o3)cc2)CC1
InChIInChI=1S/C25H28N2O5/c1-26-10-12-27(13-11-26)17-8-6-16(7-9-17)22-15-20(29)23-19(28)14-21(30)24(25(23)32-22)31-18-4-2-3-5-18/h6-9,14-15,18,28,30H,2-5,10-13H2,1H3
InChIKeyVOIWHQCNVKDEQQ-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.94
Rot. Bonds4

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

8-cyclopentyloxy-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one (PubChem CID 155560694) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 8-cyclopentyloxy-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one.

Molecular Properties

Compound Name8-cyclopentyloxy-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one
PubChem CID155560694
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name8-cyclopentyloxy-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one
SMILESCN1CCN(c2ccc(-c3cc(=O)c4c(O)cc(O)c(OC5CCCC5)c4o3)cc2)CC1
InChIInChI=1S/C25H28N2O5/c1-26-10-12-27(13-11-26)17-8-6-16(7-9-17)22-15-20(29)23-19(28)14-21(30)24(25(23)32-22)31-18-4-2-3-5-18/h6-9,14-15,18,28,30H,2-5,10-13H2,1H3
InChIKeyVOIWHQCNVKDEQQ-UHFFFAOYSA-N
XLogP3.94
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxochromen-8-yl]oxy-1,2-dihydropyrazol-3-one
CID 155520387
5-hydroxy-8-(3-hydroxypiperidin-1-yl)-7-methoxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one
CID 155301448
3,5,7-trihydroxy-8-methoxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one
CID 165142365
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(4-methylphenyl)piperazin-1-yl]methyl]chromen-4-one
CID 164609306
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
(2S,3S,4R,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxy-4-hydroxy-3,5-disulfooxyoxane-2-carboxylic acid
CID 22524314
2-[4-(5-bromopentyl)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one;ethane;methane
CID 164861386
8-[1-cyclohexyl-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5,7-dihydroxy-2-phenylchromen-4-one
CID 71827395
(2S,3S,4S,5R,6S)-6-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)oxy-4-hydroxy-3,5-disulfooxyoxane-2-carboxylic acid
CID 101130951
3,5,7-trihydroxy-8-methoxy-2-(4-piperidin-1-ylphenyl)chromen-4-one
CID 165142376
[2-(4-fluorophenyl)-5,7-dihydroxy-4-oxochromen-8-yl] sulfate;tetramethylazanium
CID 178046132

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyloxy-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one?
The IUPAC name of 8-cyclopentyloxy-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one (CID 155560694) is 8-cyclopentyloxy-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one.
What is the SMILES notation for 8-cyclopentyloxy-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one?
The canonical SMILES for 8-cyclopentyloxy-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one is CN1CCN(c2ccc(-c3cc(=O)c4c(O)cc(O)c(OC5CCCC5)c4o3)cc2)CC1.
What is the InChIKey of 8-cyclopentyloxy-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one?
The InChIKey is VOIWHQCNVKDEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-26-10-12-27(13-11-26)17-8-6-16(7-9-17)22-15-20(29)23-19(28)14-21(30)24(25(23)32-22)31-18-4-2-3-5-18/h6-9,14-15,18,28,30H,2-5,10-13H2,1H3.
What are the key properties of 8-cyclopentyloxy-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one?
8-cyclopentyloxy-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one has a molecular weight of 436.51 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyloxy-5,7-dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one is sourced from PubChem (CID 155560694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).