8-(6-chlorodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one

C25H18ClNO3S — CID 54757263

IUPAC8-(6-chlorodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3c(Cl)cccc34)cccc12
InChIInChI=1S/C25H18ClNO3S/c26-20-9-3-7-18-17-6-2-5-16(24(17)31-25(18)20)15-4-1-8-19-21(28)14-22(30-23(15)19)27-10-12-29-13-11-27/h1-9,14H,10-13H2
InChIKeyHKGDRMLGLBSUNZ-UHFFFAOYSA-N
MW447.94 g/mol
LogP6.32
Rot. Bonds2

About 8-(6-chlorodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one

8-(6-chlorodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one (PubChem CID 54757263) has the molecular formula C25H18ClNO3S and a molecular weight of 447.94 g/mol. Its IUPAC name is 8-(6-chlorodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-(6-chlorodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
PubChem CID54757263
Molecular FormulaC25H18ClNO3S
Molecular Weight447.94 g/mol
Exact Mass447.07
IUPAC Name8-(6-chlorodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3c(Cl)cccc34)cccc12
InChIInChI=1S/C25H18ClNO3S/c26-20-9-3-7-18-17-6-2-5-16(24(17)31-25(18)20)15-4-1-8-19-21(28)14-22(30-23(15)19)27-10-12-29-13-11-27/h1-9,14H,10-13H2
InChIKeyHKGDRMLGLBSUNZ-UHFFFAOYSA-N
XLogP6.32
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.94
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
CID 54757057
8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
CID 54757264
8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one
CID 23586698
2-morpholin-4-yl-8-phenylchromen-4-one
CID 3973
[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate
CID 87563600
8-(3-hydroxyphenyl)-2-morpholin-4-ylchromen-4-one
CID 11609490
8-(4-hydroxyphenyl)-2-morpholin-4-ylchromen-4-one
CID 11652716
8-dibenzofuran-4-yl-2-piperidin-1-ylchromen-4-one;8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one;2-morpholin-4-yl-8-(6,7,8,9-tetrahydrodibenzothiophen-4-yl)chromen-4-one
CID 160925437
4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium
CID 58285123
2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
CID 68758196
8-methyl-2-morpholin-4-ylchromen-4-one
CID 10083230
(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-(6-chlorodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 8-(6-chlorodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one (CID 54757263) is 8-(6-chlorodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-(6-chlorodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 8-(6-chlorodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one is O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3c(Cl)cccc34)cccc12.
What is the InChIKey of 8-(6-chlorodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one?
The InChIKey is HKGDRMLGLBSUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO3S/c26-20-9-3-7-18-17-6-2-5-16(24(17)31-25(18)20)15-4-1-8-19-21(28)14-22(30-23(15)19)27-10-12-29-13-11-27/h1-9,14H,10-13H2.
What are the key properties of 8-(6-chlorodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one?
8-(6-chlorodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one has a molecular weight of 447.94 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chlorodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 54757263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).