7-[3-(4-ethoxypiperazin-1-yl)-2-hydroxypropoxy]-3-phenylchromen-4-one

C24H28N2O5 — CID 56640606

IUPAC7-[3-(4-ethoxypiperazin-1-yl)-2-hydroxypropoxy]-3-phenylchromen-4-one
SMILESCCON1CCN(CC(O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2)CC1
InChIInChI=1S/C24H28N2O5/c1-2-31-26-12-10-25(11-13-26)15-19(27)16-29-20-8-9-21-23(14-20)30-17-22(24(21)28)18-6-4-3-5-7-18/h3-9,14,17,19,27H,2,10-13,15-16H2,1H3
InChIKeyCVTJJWFSMTXRLG-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.77
Rot. Bonds8

About 7-[3-(4-ethoxypiperazin-1-yl)-2-hydroxypropoxy]-3-phenylchromen-4-one

7-[3-(4-ethoxypiperazin-1-yl)-2-hydroxypropoxy]-3-phenylchromen-4-one (PubChem CID 56640606) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 7-[3-(4-ethoxypiperazin-1-yl)-2-hydroxypropoxy]-3-phenylchromen-4-one.

Molecular Properties

Compound Name7-[3-(4-ethoxypiperazin-1-yl)-2-hydroxypropoxy]-3-phenylchromen-4-one
PubChem CID56640606
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name7-[3-(4-ethoxypiperazin-1-yl)-2-hydroxypropoxy]-3-phenylchromen-4-one
SMILESCCON1CCN(CC(O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2)CC1
InChIInChI=1S/C24H28N2O5/c1-2-31-26-12-10-25(11-13-26)15-19(27)16-29-20-8-9-21-23(14-20)30-17-22(24(21)28)18-6-4-3-5-7-18/h3-9,14,17,19,27H,2,10-13,15-16H2,1H3
InChIKeyCVTJJWFSMTXRLG-UHFFFAOYSA-N
XLogP2.77
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
7-[4-(4-acetylpiperazin-1-yl)butoxy]-3-phenylchromen-4-one
CID 10971851
7-[3-(tert-butylamino)-2-hydroxypropoxy]-3-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]chromen-4-one
CID 141259927
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
7-(3-methylbutoxy)-3-phenylchromen-4-one
CID 23931723
(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
7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
CID 101159250
3-(3,5-dimethylphenoxy)-7-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)chromen-4-one
CID 4102579
3-phenyl-7-(4-piperazin-1-ylbutoxy)chromen-4-one
CID 11090179
3-(3,5-dimethylphenoxy)-7-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)chromen-4-one;hydrochloride
CID 18590703
3-phenyl-7-(2-phenylethoxy)chromen-4-one
CID 23878926
5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
CID 141259926

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-ethoxypiperazin-1-yl)-2-hydroxypropoxy]-3-phenylchromen-4-one?
The IUPAC name of 7-[3-(4-ethoxypiperazin-1-yl)-2-hydroxypropoxy]-3-phenylchromen-4-one (CID 56640606) is 7-[3-(4-ethoxypiperazin-1-yl)-2-hydroxypropoxy]-3-phenylchromen-4-one.
What is the SMILES notation for 7-[3-(4-ethoxypiperazin-1-yl)-2-hydroxypropoxy]-3-phenylchromen-4-one?
The canonical SMILES for 7-[3-(4-ethoxypiperazin-1-yl)-2-hydroxypropoxy]-3-phenylchromen-4-one is CCON1CCN(CC(O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2)CC1.
What is the InChIKey of 7-[3-(4-ethoxypiperazin-1-yl)-2-hydroxypropoxy]-3-phenylchromen-4-one?
The InChIKey is CVTJJWFSMTXRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-2-31-26-12-10-25(11-13-26)15-19(27)16-29-20-8-9-21-23(14-20)30-17-22(24(21)28)18-6-4-3-5-7-18/h3-9,14,17,19,27H,2,10-13,15-16H2,1H3.
What are the key properties of 7-[3-(4-ethoxypiperazin-1-yl)-2-hydroxypropoxy]-3-phenylchromen-4-one?
7-[3-(4-ethoxypiperazin-1-yl)-2-hydroxypropoxy]-3-phenylchromen-4-one has a molecular weight of 424.50 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-ethoxypiperazin-1-yl)-2-hydroxypropoxy]-3-phenylchromen-4-one is sourced from PubChem (CID 56640606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).