8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one

C25H19NO3S — CID 11327430

IUPAC8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12
InChIInChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2
InChIKeyJAMULYFATHSZJM-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.66
Rot. Bonds2

About 8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one

8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one (PubChem CID 11327430) has the molecular formula C25H19NO3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one
PubChem CID11327430
Molecular FormulaC25H19NO3S
Molecular Weight413.50 g/mol
Exact Mass413.11
IUPAC Name8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12
InChIInChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2
InChIKeyJAMULYFATHSZJM-UHFFFAOYSA-N
XLogP5.66
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Morpholin-4-yl-8-thiophen-2-ylchromen-4-one
CID 11602076
2-Morpholin-4-yl-8-thiophen-3-ylchromen-4-one
CID 11623802
8-Dibenzofuran-4-yl-2-morpholin-4-ylchromen-4-one
CID 11668417
2-Morpholin-4-yl-8-(6,7,8,9-tetrahydro-dibenzothiophen-4-yl)-chromen-4-one
CID 11567907
2-morpholino-8-(3-(thiophen-3-yl)phenyl)-4H-chromen-4-one
CID 44562492
(2-Phenyl-1-benzothiophen-3-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 9911175
2-morpholino-8-(3-(thiophen-2-yl)phenyl)-4H-chromen-4-one
CID 25211673
3-(3-Methylphenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 44181721
Lturm34
CID 122705987
2-Morpholin-4-yl-6-thianthren-1-ylchromen-4-one
CID 11583137
8-(5-Acetylthiophen-2-yl)-2-morpholin-4-ylchromen-4-one
CID 11508681
8-Benzo[b]thiophen-2-yl-2-morpholin-4-yl-chromen-4-one
CID 11588610

Frequently Asked Questions

What is the IUPAC name of 8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one (CID 11327430) is 8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one is O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12.
What is the InChIKey of 8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one?
The InChIKey is JAMULYFATHSZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2.
What are the key properties of 8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one?
8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one has a molecular weight of 413.50 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 11327430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).