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

C76H63N3O9S2 — CID 160925437

IUPAC8-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
SMILESO=c1cc(N2CCCCC2)oc2c(-c3cccc4c3oc3ccccc34)cccc12.O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12.O=c1cc(N2CCOCC2)oc2c(-c3cccc4c5c(sc34)CCCC5)cccc12
InChIInChI=1S/C26H21NO3.C25H23NO3S.C25H19NO3S/c28-22-16-24(27-14-4-1-5-15-27)30-26-20(11-7-12-21(22)26)19-10-6-9-18-17-8-2-3-13-23(17)29-25(18)19;2*27-21-15-23(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/h2-3,6-13,16H,1,4-5,14-15H2;3-4,6-9,15H,1-2,5,10-14H2;1-10,15H,11-14H2
InChIKeySSOPHMCBKAOWSR-UHFFFAOYSA-N
MW1226.49 g/mol
LogP17.40
Rot. Bonds6

About 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

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 (PubChem CID 160925437) has the molecular formula C76H63N3O9S2 and a molecular weight of 1226.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID160925437
Molecular FormulaC76H63N3O9S2
Molecular Weight1226.49 g/mol
Exact Mass1225.40
IUPAC Name8-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
SMILESO=c1cc(N2CCCCC2)oc2c(-c3cccc4c3oc3ccccc34)cccc12.O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12.O=c1cc(N2CCOCC2)oc2c(-c3cccc4c5c(sc34)CCCC5)cccc12
InChIInChI=1S/C26H21NO3.C25H23NO3S.C25H19NO3S/c28-22-16-24(27-14-4-1-5-15-27)30-26-20(11-7-12-21(22)26)19-10-6-9-18-17-8-2-3-13-23(17)29-25(18)19;2*27-21-15-23(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/h2-3,6-13,16H,1,4-5,14-15H2;3-4,6-9,15H,1-2,5,10-14H2;1-10,15H,11-14H2
InChIKeySSOPHMCBKAOWSR-UHFFFAOYSA-N
XLogP17.40
TPSA131.95 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001226.49
LogP ≤ 517.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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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
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-[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
2-morpholin-4-yl-8-phenylchromen-4-one
CID 3973
2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
CID 68758196
8-[1-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]dibenzothiophen-4-yl]-2-morpholin-4-ylchromen-4-one
CID 25169995
N,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide
CID 89004316
2-(2-hydroxyethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
CID 71817380

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1cc(N2CCCCC2)oc2c(-c3cccc4c3oc3ccccc34)cccc12.O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12.O=c1cc(N2CCOCC2)oc2c(-c3cccc4c5c(sc34)CCCC5)cccc12.
What is the InChIKey of 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?
The InChIKey is SSOPHMCBKAOWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO3.C25H23NO3S.C25H19NO3S/c28-22-16-24(27-14-4-1-5-15-27)30-26-20(11-7-12-21(22)26)19-10-6-9-18-17-8-2-3-13-23(17)29-25(18)19;2*27-21-15-23(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/h2-3,6-13,16H,1,4-5,14-15H2;3-4,6-9,15H,1-2,5,10-14H2;1-10,15H,11-14H2.
What are the key properties of 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?
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 has a molecular weight of 1226.49 g/mol, XLogP of 17.40, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160925437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).