5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-4-one

C28H25NO6 — CID 71827102

IUPAC5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-4-one
SMILESO=C(CC(c1ccccc1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12)N1CCOCC1
InChIInChI=1S/C28H25NO6/c30-21-16-22(31)27-23(32)17-24(19-9-5-2-6-10-19)35-28(27)26(21)20(18-7-3-1-4-8-18)15-25(33)29-11-13-34-14-12-29/h1-10,16-17,20,30-31H,11-15H2
InChIKeyHKINTJMYLSJRRE-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.25
Rot. Bonds5

About 5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-4-one

5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-4-one (PubChem CID 71827102) has the molecular formula C28H25NO6 and a molecular weight of 471.51 g/mol. Its IUPAC name is 5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-4-one
PubChem CID71827102
Molecular FormulaC28H25NO6
Molecular Weight471.51 g/mol
Exact Mass471.17
IUPAC Name5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-4-one
SMILESO=C(CC(c1ccccc1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12)N1CCOCC1
InChIInChI=1S/C28H25NO6/c30-21-16-22(31)27-23(32)17-24(19-9-5-2-6-10-19)35-28(27)26(21)20(18-7-3-1-4-8-18)15-25(33)29-11-13-34-14-12-29/h1-10,16-17,20,30-31H,11-15H2
InChIKeyHKINTJMYLSJRRE-UHFFFAOYSA-N
XLogP4.25
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-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

Related Compounds

5,7-dihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
CID 97424683
5,7-dihydroxy-8-[(1R)-3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl]-2-phenylchromen-4-one
CID 97424403
5,6,7-trihydroxy-8-[(1R)-1-(4-hydroxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
CID 99983743
3-[1-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one
CID 71827278
5,7-dihydroxy-8-[1-(7-methoxy-1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
CID 71826677
5,7-dihydroxy-8-[(1R)-3-oxo-3-piperidin-1-yl-1-pyridin-3-ylpropyl]-2-phenylchromen-4-one
CID 124878318
5,6,7-trihydroxy-8-[(1R)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
CID 99996288
5,6,7-trihydroxy-8-[1-(3-hydroxy-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
CID 91637298
8-[1-(3,4-dimethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-5,7-dihydroxy-2-phenylchromen-4-one
CID 110206872
4-[5-[(1R)-1-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-oxo-3-piperidin-1-ylpropyl]furan-2-yl]benzoic acid
CID 124875895
5,7-dihydroxy-8-[(1R)-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one
CID 124879512
8-[(1R)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-5,6,7-trihydroxy-2-phenylchromen-4-one
CID 99992509

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-4-one (CID 71827102) is 5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-4-one is O=C(CC(c1ccccc1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12)N1CCOCC1.
What is the InChIKey of 5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-4-one?
The InChIKey is HKINTJMYLSJRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO6/c30-21-16-22(31)27-23(32)17-24(19-9-5-2-6-10-19)35-28(27)26(21)20(18-7-3-1-4-8-18)15-25(33)29-11-13-34-14-12-29/h1-10,16-17,20,30-31H,11-15H2.
What are the key properties of 5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-4-one?
5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-4-one has a molecular weight of 471.51 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-4-one is sourced from PubChem (CID 71827102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).