5-hydroxy-7-(4-oxo-4-piperazin-1-ylbutoxy)-3-phenylchromen-4-one

C23H24N2O5 — CID 10949584

IUPAC5-hydroxy-7-(4-oxo-4-piperazin-1-ylbutoxy)-3-phenylchromen-4-one
SMILESO=C(CCCOc1cc(O)c2c(=O)c(-c3ccccc3)coc2c1)N1CCNCC1
InChIInChI=1S/C23H24N2O5/c26-19-13-17(29-12-4-7-21(27)25-10-8-24-9-11-25)14-20-22(19)23(28)18(15-30-20)16-5-2-1-3-6-16/h1-3,5-6,13-15,24,26H,4,7-12H2
InChIKeyAWJFNRBWGKUILK-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.76
Rot. Bonds6

About 5-hydroxy-7-(4-oxo-4-piperazin-1-ylbutoxy)-3-phenylchromen-4-one

5-hydroxy-7-(4-oxo-4-piperazin-1-ylbutoxy)-3-phenylchromen-4-one (PubChem CID 10949584) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 5-hydroxy-7-(4-oxo-4-piperazin-1-ylbutoxy)-3-phenylchromen-4-one.

Molecular Properties

Compound Name5-hydroxy-7-(4-oxo-4-piperazin-1-ylbutoxy)-3-phenylchromen-4-one
PubChem CID10949584
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name5-hydroxy-7-(4-oxo-4-piperazin-1-ylbutoxy)-3-phenylchromen-4-one
SMILESO=C(CCCOc1cc(O)c2c(=O)c(-c3ccccc3)coc2c1)N1CCNCC1
InChIInChI=1S/C23H24N2O5/c26-19-13-17(29-12-4-7-21(27)25-10-8-24-9-11-25)14-20-22(19)23(28)18(15-30-20)16-5-2-1-3-6-16/h1-3,5-6,13-15,24,26H,4,7-12H2
InChIKeyAWJFNRBWGKUILK-UHFFFAOYSA-N
XLogP2.76
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-7-[2-[4-(piperazine-1-carbonyl)phenoxy]ethoxy]chromen-4-one
CID 10457421
3-phenyl-7-(4-piperazin-1-ylbutoxy)chromen-4-one
CID 11090179
5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one
CID 163355414
7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CID 54675067
5-hydroxy-3-(4-hydroxyphenyl)-7-(3-imidazol-1-ylpropoxy)chromen-4-one
CID 24971216
[4-(5,7-dihydroxy-4-oxochromen-3-yl)phenyl] 4-benzylpiperazine-1-carboxylate
CID 71664471
3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 2759326
3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one
CID 154926299
5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
CID 141259926
7-[4-(4-acetylpiperazin-1-yl)butoxy]-3-phenylchromen-4-one
CID 10971851
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] 4-benzylpiperidine-1-carboxylate
CID 71664265

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-(4-oxo-4-piperazin-1-ylbutoxy)-3-phenylchromen-4-one?
The IUPAC name of 5-hydroxy-7-(4-oxo-4-piperazin-1-ylbutoxy)-3-phenylchromen-4-one (CID 10949584) is 5-hydroxy-7-(4-oxo-4-piperazin-1-ylbutoxy)-3-phenylchromen-4-one.
What is the SMILES notation for 5-hydroxy-7-(4-oxo-4-piperazin-1-ylbutoxy)-3-phenylchromen-4-one?
The canonical SMILES for 5-hydroxy-7-(4-oxo-4-piperazin-1-ylbutoxy)-3-phenylchromen-4-one is O=C(CCCOc1cc(O)c2c(=O)c(-c3ccccc3)coc2c1)N1CCNCC1.
What is the InChIKey of 5-hydroxy-7-(4-oxo-4-piperazin-1-ylbutoxy)-3-phenylchromen-4-one?
The InChIKey is AWJFNRBWGKUILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c26-19-13-17(29-12-4-7-21(27)25-10-8-24-9-11-25)14-20-22(19)23(28)18(15-30-20)16-5-2-1-3-6-16/h1-3,5-6,13-15,24,26H,4,7-12H2.
What are the key properties of 5-hydroxy-7-(4-oxo-4-piperazin-1-ylbutoxy)-3-phenylchromen-4-one?
5-hydroxy-7-(4-oxo-4-piperazin-1-ylbutoxy)-3-phenylchromen-4-one has a molecular weight of 408.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-(4-oxo-4-piperazin-1-ylbutoxy)-3-phenylchromen-4-one is sourced from PubChem (CID 10949584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).