8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one

C25H19NO4S — CID 54757264

IUPAC8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3cccc(O)c34)cccc12
InChIInChI=1S/C25H19NO4S/c27-19-8-3-9-21-23(19)18-7-2-5-16(25(18)31-21)15-4-1-6-17-20(28)14-22(30-24(15)17)26-10-12-29-13-11-26/h1-9,14,27H,10-13H2
InChIKeyCGVPDTJMCOFUMC-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.37
Rot. Bonds2

About 8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one

8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one (PubChem CID 54757264) has the molecular formula C25H19NO4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
PubChem CID54757264
Molecular FormulaC25H19NO4S
Molecular Weight429.50 g/mol
Exact Mass429.10
IUPAC Name8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3cccc(O)c34)cccc12
InChIInChI=1S/C25H19NO4S/c27-19-8-3-9-21-23(19)18-7-2-5-16(25(18)31-21)15-4-1-6-17-20(28)14-22(30-24(15)17)26-10-12-29-13-11-26/h1-9,14,27H,10-13H2
InChIKeyCGVPDTJMCOFUMC-UHFFFAOYSA-N
XLogP5.37
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
CID 54757057
4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium
CID 58285123
2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]oxyacetic acid
CID 59752265
[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate
CID 87563600
2-chloro-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
CID 59752259
8-(3-hydroxyphenyl)-2-morpholin-4-ylchromen-4-one
CID 11609490
8-(4-hydroxyphenyl)-2-morpholin-4-ylchromen-4-one
CID 11652716
8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one
CID 23586698
2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
CID 68758196
2-morpholin-4-yl-8-phenylchromen-4-one
CID 3973
2-(2-hydroxyethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
CID 71817380
(2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
CID 68797800

Frequently Asked Questions

What is the IUPAC name of 8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one (CID 54757264) is 8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one is O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3cccc(O)c34)cccc12.
What is the InChIKey of 8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one?
The InChIKey is CGVPDTJMCOFUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO4S/c27-19-8-3-9-21-23(19)18-7-2-5-16(25(18)31-21)15-4-1-6-17-20(28)14-22(30-24(15)17)26-10-12-29-13-11-26/h1-9,14,27H,10-13H2.
What are the key properties of 8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one?
8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one has a molecular weight of 429.50 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 54757264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).