8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one

C26H21NO3S — CID 54757057

IUPAC8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
SMILESCc1ccc2c(c1)sc1c(-c3cccc4c(=O)cc(N5CCOCC5)oc34)cccc12
InChIInChI=1S/C26H21NO3S/c1-16-8-9-17-19-5-3-6-20(26(19)31-23(17)14-16)18-4-2-7-21-22(28)15-24(30-25(18)21)27-10-12-29-13-11-27/h2-9,14-15H,10-13H2,1H3
InChIKeyZYVRVIXMHHEPLZ-UHFFFAOYSA-N
MW427.53 g/mol
LogP5.97
Rot. Bonds2

About 8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one

8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one (PubChem CID 54757057) has the molecular formula C26H21NO3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
PubChem CID54757057
Molecular FormulaC26H21NO3S
Molecular Weight427.53 g/mol
Exact Mass427.12
IUPAC Name8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
SMILESCc1ccc2c(c1)sc1c(-c3cccc4c(=O)cc(N5CCOCC5)oc34)cccc12
InChIInChI=1S/C26H21NO3S/c1-16-8-9-17-19-5-3-6-20(26(19)31-23(17)14-16)18-4-2-7-21-22(28)15-24(30-25(18)21)27-10-12-29-13-11-27/h2-9,14-15H,10-13H2,1H3
InChIKeyZYVRVIXMHHEPLZ-UHFFFAOYSA-N
XLogP5.97
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
CID 54757264
4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium
CID 58285123
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
[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate
CID 87563600
2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
CID 68758196
(2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
CID 68797800
3-(dimethylamino)-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
CID 68761027
8-methyl-2-morpholin-4-ylchromen-4-one
CID 10083230
2-morpholin-4-yl-8-phenylchromen-4-one
CID 3973
N,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide
CID 89004316
8-[3-(4-methylthiophen-3-yl)phenyl]-2-morpholin-4-ylchromen-4-one
CID 11956324
2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide
CID 68761995

Frequently Asked Questions

What is the IUPAC name of 8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one (CID 54757057) is 8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one is Cc1ccc2c(c1)sc1c(-c3cccc4c(=O)cc(N5CCOCC5)oc34)cccc12.
What is the InChIKey of 8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one?
The InChIKey is ZYVRVIXMHHEPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO3S/c1-16-8-9-17-19-5-3-6-20(26(19)31-23(17)14-16)18-4-2-7-21-22(28)15-24(30-25(18)21)27-10-12-29-13-11-27/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one?
8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one has a molecular weight of 427.53 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 54757057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).