7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]chromen-4-one

C33H46N4O8 — CID 141259931

IUPAC7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]chromen-4-one
SMILESO=c1c(-c2ccc(OCC(O)CN3CCN(CCO)CC3)cc2)coc2cc(OCC(O)CN3CCN(CCO)CC3)ccc12
InChIInChI=1S/C33H46N4O8/c38-17-15-34-7-11-36(12-8-34)20-26(40)22-43-28-3-1-25(2-4-28)31-24-45-32-19-29(5-6-30(32)33(31)42)44-23-27(41)21-37-13-9-35(10-14-37)16-18-39/h1-6,19,24,26-27,38-41H,7-18,20-23H2
InChIKeyGGISJZRPEKWXDT-UHFFFAOYSA-N
MW626.75 g/mol
LogP0.16
Rot. Bonds15

About 7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]chromen-4-one

7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]chromen-4-one (PubChem CID 141259931) has the molecular formula C33H46N4O8 and a molecular weight of 626.75 g/mol. Its IUPAC name is 7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]chromen-4-one.

Molecular Properties

Compound Name7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]chromen-4-one
PubChem CID141259931
Molecular FormulaC33H46N4O8
Molecular Weight626.75 g/mol
Exact Mass626.33
IUPAC Name7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]chromen-4-one
SMILESO=c1c(-c2ccc(OCC(O)CN3CCN(CCO)CC3)cc2)coc2cc(OCC(O)CN3CCN(CCO)CC3)ccc12
InChIInChI=1S/C33H46N4O8/c38-17-15-34-7-11-36(12-8-34)20-26(40)22-43-28-3-1-25(2-4-28)31-24-45-32-19-29(5-6-30(32)33(31)42)44-23-27(41)21-37-13-9-35(10-14-37)16-18-39/h1-6,19,24,26-27,38-41H,7-18,20-23H2
InChIKeyGGISJZRPEKWXDT-UHFFFAOYSA-N
XLogP0.16
TPSA142.55 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.75
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]chromen-4-one with MolForge

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Related Compounds

7-[3-(4-ethoxypiperazin-1-yl)-2-hydroxypropoxy]-3-phenylchromen-4-one
CID 56640606
7-[3-(tert-butylamino)-2-hydroxypropoxy]-3-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]chromen-4-one
CID 141259927
5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
CID 141259926
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 2938679
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 29124618
(1S,9R)-11-[3-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxy-2-hydroxypropyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 154732492
1-(4-aminophenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 43575187
7-[4-(4-acetylpiperazin-1-yl)butoxy]-3-phenylchromen-4-one
CID 10971851
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 2134501
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 782845
3-(3,5-dimethylphenoxy)-7-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)chromen-4-one
CID 4102579
3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one
CID 56640470

Frequently Asked Questions

What is the IUPAC name of 7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]chromen-4-one?
The IUPAC name of 7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]chromen-4-one (CID 141259931) is 7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]chromen-4-one.
What is the SMILES notation for 7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]chromen-4-one?
The canonical SMILES for 7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]chromen-4-one is O=c1c(-c2ccc(OCC(O)CN3CCN(CCO)CC3)cc2)coc2cc(OCC(O)CN3CCN(CCO)CC3)ccc12.
What is the InChIKey of 7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]chromen-4-one?
The InChIKey is GGISJZRPEKWXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N4O8/c38-17-15-34-7-11-36(12-8-34)20-26(40)22-43-28-3-1-25(2-4-28)31-24-45-32-19-29(5-6-30(32)33(31)42)44-23-27(41)21-37-13-9-35(10-14-37)16-18-39/h1-6,19,24,26-27,38-41H,7-18,20-23H2.
What are the key properties of 7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]chromen-4-one?
7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]chromen-4-one has a molecular weight of 626.75 g/mol, XLogP of 0.16, 15 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]chromen-4-one is sourced from PubChem (CID 141259931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).