5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one

C23H26N2O5 — CID 134122328

IUPAC5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCCNCCN3CCOCC3)cc(O)c12
InChIInChI=1S/C23H26N2O5/c26-19-14-18(29-11-7-24-6-8-25-9-12-28-13-10-25)15-22-23(19)20(27)16-21(30-22)17-4-2-1-3-5-17/h1-5,14-16,24,26H,6-13H2
InChIKeyUQHPYXSCLHZYSI-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.47
Rot. Bonds8

About 5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one

5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one (PubChem CID 134122328) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one
PubChem CID134122328
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCCNCCN3CCOCC3)cc(O)c12
InChIInChI=1S/C23H26N2O5/c26-19-14-18(29-11-7-24-6-8-25-9-12-28-13-10-25)15-22-23(19)20(27)16-21(30-22)17-4-2-1-3-5-17/h1-5,14-16,24,26H,6-13H2
InChIKeyUQHPYXSCLHZYSI-UHFFFAOYSA-N
XLogP2.47
TPSA84.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride
CID 142688406
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
7-(8-bromooctoxy)-5-hydroxy-2-phenylchromen-4-one
CID 172994912
8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
CID 172994915
7-(2-morpholin-4-ylethoxy)-2-phenylchromen-4-one
CID 162359717
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-piperidin-1-ylethoxy)chromen-4-one;hydrochloride
CID 142688405
5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one
CID 68755771
7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
CID 6029612
2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one
CID 162359881
1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid
CID 29147856
4-bromobutyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
CID 53486698
5-hydroxy-6-methoxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;5-hydroxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one;5-hydroxy-7-(4-morpholin-4-ylbutoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
CID 159201474

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one?
The IUPAC name of 5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one (CID 134122328) is 5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one?
The canonical SMILES for 5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2cc(OCCNCCN3CCOCC3)cc(O)c12.
What is the InChIKey of 5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one?
The InChIKey is UQHPYXSCLHZYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c26-19-14-18(29-11-7-24-6-8-25-9-12-28-13-10-25)15-22-23(19)20(27)16-21(30-22)17-4-2-1-3-5-17/h1-5,14-16,24,26H,6-13H2.
What are the key properties of 5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one?
5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one has a molecular weight of 410.47 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 134122328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).