5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)-8-propan-2-yloxychromen-4-one

C22H24N2O5 — CID 155301374

IUPAC5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)-8-propan-2-yloxychromen-4-one
SMILESCC(C)Oc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCNCC4)cc3)oc12
InChIInChI=1S/C22H24N2O5/c1-13(2)28-21-18(27)11-16(25)20-17(26)12-19(29-22(20)21)14-3-5-15(6-4-14)24-9-7-23-8-10-24/h3-6,11-13,23,25,27H,7-10H2,1-2H3
InChIKeyMVWMZXXYCVLQRN-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.07
Rot. Bonds4

About 5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)-8-propan-2-yloxychromen-4-one

5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)-8-propan-2-yloxychromen-4-one (PubChem CID 155301374) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)-8-propan-2-yloxychromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)-8-propan-2-yloxychromen-4-one
PubChem CID155301374
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)-8-propan-2-yloxychromen-4-one
SMILESCC(C)Oc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCNCC4)cc3)oc12
InChIInChI=1S/C22H24N2O5/c1-13(2)28-21-18(27)11-16(25)20-17(26)12-19(29-22(20)21)14-3-5-15(6-4-14)24-9-7-23-8-10-24/h3-6,11-13,23,25,27H,7-10H2,1-2H3
InChIKeyMVWMZXXYCVLQRN-UHFFFAOYSA-N
XLogP3.07
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)-8-propan-2-yloxychromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)-8-propan-2-yloxychromen-4-one (CID 155301374) is 5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)-8-propan-2-yloxychromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)-8-propan-2-yloxychromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)-8-propan-2-yloxychromen-4-one is CC(C)Oc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCNCC4)cc3)oc12.
What is the InChIKey of 5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)-8-propan-2-yloxychromen-4-one?
The InChIKey is MVWMZXXYCVLQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-13(2)28-21-18(27)11-16(25)20-17(26)12-19(29-22(20)21)14-3-5-15(6-4-14)24-9-7-23-8-10-24/h3-6,11-13,23,25,27H,7-10H2,1-2H3.
What are the key properties of 5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)-8-propan-2-yloxychromen-4-one?
5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)-8-propan-2-yloxychromen-4-one has a molecular weight of 396.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)-8-propan-2-yloxychromen-4-one is sourced from PubChem (CID 155301374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).