2-morpholin-4-yl-8-(6,7,8,9-tetrahydrodibenzothiophen-4-yl)chromen-4-one

C25H23NO3S — CID 11567907

IUPAC2-morpholin-4-yl-8-(6,7,8,9-tetrahydrodibenzothiophen-4-yl)chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc4c5c(sc34)CCCC5)cccc12
InChIInChI=1S/C25H23NO3S/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/h3-4,6-9,15H,1-2,5,10-14H2
InChIKeyLLPTWYAVHXNSIY-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.39
Rot. Bonds2

About 2-morpholin-4-yl-8-(6,7,8,9-tetrahydrodibenzothiophen-4-yl)chromen-4-one

2-morpholin-4-yl-8-(6,7,8,9-tetrahydrodibenzothiophen-4-yl)chromen-4-one (PubChem CID 11567907) has the molecular formula C25H23NO3S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-morpholin-4-yl-8-(6,7,8,9-tetrahydrodibenzothiophen-4-yl)chromen-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-8-(6,7,8,9-tetrahydrodibenzothiophen-4-yl)chromen-4-one
PubChem CID11567907
Molecular FormulaC25H23NO3S
Molecular Weight417.53 g/mol
Exact Mass417.14
IUPAC Name2-morpholin-4-yl-8-(6,7,8,9-tetrahydrodibenzothiophen-4-yl)chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc4c5c(sc34)CCCC5)cccc12
InChIInChI=1S/C25H23NO3S/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/h3-4,6-9,15H,1-2,5,10-14H2
InChIKeyLLPTWYAVHXNSIY-UHFFFAOYSA-N
XLogP5.39
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-8-(6,7,8,9-tetrahydrodibenzothiophen-4-yl)chromen-4-one?
The IUPAC name of 2-morpholin-4-yl-8-(6,7,8,9-tetrahydrodibenzothiophen-4-yl)chromen-4-one (CID 11567907) is 2-morpholin-4-yl-8-(6,7,8,9-tetrahydrodibenzothiophen-4-yl)chromen-4-one.
What is the SMILES notation for 2-morpholin-4-yl-8-(6,7,8,9-tetrahydrodibenzothiophen-4-yl)chromen-4-one?
The canonical SMILES for 2-morpholin-4-yl-8-(6,7,8,9-tetrahydrodibenzothiophen-4-yl)chromen-4-one is O=c1cc(N2CCOCC2)oc2c(-c3cccc4c5c(sc34)CCCC5)cccc12.
What is the InChIKey of 2-morpholin-4-yl-8-(6,7,8,9-tetrahydrodibenzothiophen-4-yl)chromen-4-one?
The InChIKey is LLPTWYAVHXNSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3S/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/h3-4,6-9,15H,1-2,5,10-14H2.
What are the key properties of 2-morpholin-4-yl-8-(6,7,8,9-tetrahydrodibenzothiophen-4-yl)chromen-4-one?
2-morpholin-4-yl-8-(6,7,8,9-tetrahydrodibenzothiophen-4-yl)chromen-4-one has a molecular weight of 417.53 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-8-(6,7,8,9-tetrahydrodibenzothiophen-4-yl)chromen-4-one is sourced from PubChem (CID 11567907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).