1-hydroxy-3-morpholin-4-yl-6-(pyridin-2-ylmethoxy)xanthen-9-one

C23H20N2O5 — CID 58923370

IUPAC1-hydroxy-3-morpholin-4-yl-6-(pyridin-2-ylmethoxy)xanthen-9-one
SMILESO=c1c2ccc(OCc3ccccn3)cc2oc2cc(N3CCOCC3)cc(O)c12
InChIInChI=1S/C23H20N2O5/c26-19-11-16(25-7-9-28-10-8-25)12-21-22(19)23(27)18-5-4-17(13-20(18)30-21)29-14-15-3-1-2-6-24-15/h1-6,11-13,26H,7-10,14H2
InChIKeyYTJQAJUJODBHOR-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.46
Rot. Bonds4

About 1-hydroxy-3-morpholin-4-yl-6-(pyridin-2-ylmethoxy)xanthen-9-one

1-hydroxy-3-morpholin-4-yl-6-(pyridin-2-ylmethoxy)xanthen-9-one (PubChem CID 58923370) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 1-hydroxy-3-morpholin-4-yl-6-(pyridin-2-ylmethoxy)xanthen-9-one.

Molecular Properties

Compound Name1-hydroxy-3-morpholin-4-yl-6-(pyridin-2-ylmethoxy)xanthen-9-one
PubChem CID58923370
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name1-hydroxy-3-morpholin-4-yl-6-(pyridin-2-ylmethoxy)xanthen-9-one
SMILESO=c1c2ccc(OCc3ccccn3)cc2oc2cc(N3CCOCC3)cc(O)c12
InChIInChI=1S/C23H20N2O5/c26-19-11-16(25-7-9-28-10-8-25)12-21-22(19)23(27)18-5-4-17(13-20(18)30-21)29-14-15-3-1-2-6-24-15/h1-6,11-13,26H,7-10,14H2
InChIKeyYTJQAJUJODBHOR-UHFFFAOYSA-N
XLogP3.46
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-(2-dimethylphosphoryloxyethoxy)-1-hydroxy-3-morpholin-4-ylxanthen-9-one
CID 89457464
1-(8-hydroxy-6-morpholin-4-yl-9-oxoxanthen-3-yl)piperidine-4-carboxamide
CID 11487044
7-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-1,3-benzoxazine-2,4-dione
CID 71538841
2-[4-[(1,6-dihydroxy-9-oxoxanthen-3-yl)oxymethyl]triazol-1-yl]-N-(2,4-dihydroxyphenyl)acetamide
CID 155558468
5-hydroxy-2-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one
CID 90643979
dibutyl (8-hydroxy-6-morpholin-4-yl-9-oxoxanthen-4-yl) phosphate
CID 89345133
3-phenyl-7-(pyridin-2-ylmethoxy)-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one
CID 23644952
3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one
CID 6226763
1,3-dihydroxyxanthen-9-one
CID 5488193
3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one
CID 75489267
2-morpholin-4-yl-6-[4-(pyridin-2-ylmethoxy)phenyl]pyran-3,4-dione
CID 67810036
(E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55623065

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-morpholin-4-yl-6-(pyridin-2-ylmethoxy)xanthen-9-one?
The IUPAC name of 1-hydroxy-3-morpholin-4-yl-6-(pyridin-2-ylmethoxy)xanthen-9-one (CID 58923370) is 1-hydroxy-3-morpholin-4-yl-6-(pyridin-2-ylmethoxy)xanthen-9-one.
What is the SMILES notation for 1-hydroxy-3-morpholin-4-yl-6-(pyridin-2-ylmethoxy)xanthen-9-one?
The canonical SMILES for 1-hydroxy-3-morpholin-4-yl-6-(pyridin-2-ylmethoxy)xanthen-9-one is O=c1c2ccc(OCc3ccccn3)cc2oc2cc(N3CCOCC3)cc(O)c12.
What is the InChIKey of 1-hydroxy-3-morpholin-4-yl-6-(pyridin-2-ylmethoxy)xanthen-9-one?
The InChIKey is YTJQAJUJODBHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c26-19-11-16(25-7-9-28-10-8-25)12-21-22(19)23(27)18-5-4-17(13-20(18)30-21)29-14-15-3-1-2-6-24-15/h1-6,11-13,26H,7-10,14H2.
What are the key properties of 1-hydroxy-3-morpholin-4-yl-6-(pyridin-2-ylmethoxy)xanthen-9-one?
1-hydroxy-3-morpholin-4-yl-6-(pyridin-2-ylmethoxy)xanthen-9-one has a molecular weight of 404.42 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-morpholin-4-yl-6-(pyridin-2-ylmethoxy)xanthen-9-one is sourced from PubChem (CID 58923370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).