5,7-dihydroxy-8-methoxy-2-(3-piperazin-1-ylphenyl)chromen-4-one

C20H20N2O5 — CID 155519054

IUPAC5,7-dihydroxy-8-methoxy-2-(3-piperazin-1-ylphenyl)chromen-4-one
SMILESCOc1c(O)cc(O)c2c(=O)cc(-c3cccc(N4CCNCC4)c3)oc12
InChIInChI=1S/C20H20N2O5/c1-26-19-16(25)10-14(23)18-15(24)11-17(27-20(18)19)12-3-2-4-13(9-12)22-7-5-21-6-8-22/h2-4,9-11,21,23,25H,5-8H2,1H3
InChIKeyFJSWYDAYRDPTSF-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.29
Rot. Bonds3

About 5,7-dihydroxy-8-methoxy-2-(3-piperazin-1-ylphenyl)chromen-4-one

5,7-dihydroxy-8-methoxy-2-(3-piperazin-1-ylphenyl)chromen-4-one (PubChem CID 155519054) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 5,7-dihydroxy-8-methoxy-2-(3-piperazin-1-ylphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-8-methoxy-2-(3-piperazin-1-ylphenyl)chromen-4-one
PubChem CID155519054
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name5,7-dihydroxy-8-methoxy-2-(3-piperazin-1-ylphenyl)chromen-4-one
SMILESCOc1c(O)cc(O)c2c(=O)cc(-c3cccc(N4CCNCC4)c3)oc12
InChIInChI=1S/C20H20N2O5/c1-26-19-16(25)10-14(23)18-15(24)11-17(27-20(18)19)12-3-2-4-13(9-12)22-7-5-21-6-8-22/h2-4,9-11,21,23,25H,5-8H2,1H3
InChIKeyFJSWYDAYRDPTSF-UHFFFAOYSA-N
XLogP2.29
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5,7-dihydroxy-8-methoxy-2-(3-piperazin-1-ylphenyl)chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-8-methoxy-2-(3-piperazin-1-ylphenyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-8-methoxy-2-(3-piperazin-1-ylphenyl)chromen-4-one (CID 155519054) is 5,7-dihydroxy-8-methoxy-2-(3-piperazin-1-ylphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-8-methoxy-2-(3-piperazin-1-ylphenyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-8-methoxy-2-(3-piperazin-1-ylphenyl)chromen-4-one is COc1c(O)cc(O)c2c(=O)cc(-c3cccc(N4CCNCC4)c3)oc12.
What is the InChIKey of 5,7-dihydroxy-8-methoxy-2-(3-piperazin-1-ylphenyl)chromen-4-one?
The InChIKey is FJSWYDAYRDPTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-26-19-16(25)10-14(23)18-15(24)11-17(27-20(18)19)12-3-2-4-13(9-12)22-7-5-21-6-8-22/h2-4,9-11,21,23,25H,5-8H2,1H3.
What are the key properties of 5,7-dihydroxy-8-methoxy-2-(3-piperazin-1-ylphenyl)chromen-4-one?
5,7-dihydroxy-8-methoxy-2-(3-piperazin-1-ylphenyl)chromen-4-one has a molecular weight of 368.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-8-methoxy-2-(3-piperazin-1-ylphenyl)chromen-4-one is sourced from PubChem (CID 155519054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).