5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one

C23H24N2O6 — CID 163355414

IUPAC5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OCC(=O)N4CCN(C)CC4)cc(O)c3c2=O)cc1
InChIInChI=1S/C23H24N2O6/c1-24-7-9-25(10-8-24)21(27)14-30-17-11-19(26)22-20(12-17)31-13-18(23(22)28)15-3-5-16(29-2)6-4-15/h3-6,11-13,26H,7-10,14H2,1-2H3
InChIKeyKYAVBVABNIASQL-UHFFFAOYSA-N
MW424.45 g/mol
LogP2.33
Rot. Bonds5

About 5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one

5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one (PubChem CID 163355414) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is 5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one
PubChem CID163355414
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Name5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OCC(=O)N4CCN(C)CC4)cc(O)c3c2=O)cc1
InChIInChI=1S/C23H24N2O6/c1-24-7-9-25(10-8-24)21(27)14-30-17-11-19(26)22-20(12-17)31-13-18(23(22)28)15-3-5-16(29-2)6-4-15/h3-6,11-13,26H,7-10,14H2,1-2H3
InChIKeyKYAVBVABNIASQL-UHFFFAOYSA-N
XLogP2.33
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide
CID 171340353
5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one
CID 163355407
N-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
CID 171324386
[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate
CID 71664178
tert-butyl 2-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyacetate
CID 67521570
[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] 4-benzylpiperidine-1-carboxylate
CID 71664265
7-(3,7-dimethylocta-2,6-dienoxy)-5-hydroxy-3-(4-methoxyphenyl)chromen-4-one
CID 163053489
[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-(2-bromoethyl)carbamate
CID 70687672
5-hydroxy-7-(4-oxo-4-piperazin-1-ylbutoxy)-3-phenylchromen-4-one
CID 10949584
7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 40899939
7-[4-(4-benzylpiperazin-1-yl)butoxy]-3-[4-[4-(4-benzylpiperazin-1-yl)butoxy]phenyl]-5-hydroxychromen-4-one
CID 162676067
3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one
CID 154926299

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one?
The IUPAC name of 5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one (CID 163355414) is 5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one.
What is the SMILES notation for 5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one?
The canonical SMILES for 5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one is COc1ccc(-c2coc3cc(OCC(=O)N4CCN(C)CC4)cc(O)c3c2=O)cc1.
What is the InChIKey of 5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one?
The InChIKey is KYAVBVABNIASQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-24-7-9-25(10-8-24)21(27)14-30-17-11-19(26)22-20(12-17)31-13-18(23(22)28)15-3-5-16(29-2)6-4-15/h3-6,11-13,26H,7-10,14H2,1-2H3.
What are the key properties of 5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one?
5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one has a molecular weight of 424.45 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one is sourced from PubChem (CID 163355414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).