4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium

C25H18N3O3S+ — CID 58285123

IUPAC4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium
SMILESN#[N+]c1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12
InChIInChI=1S/C25H18N3O3S/c26-27-19-9-8-16(25-23(19)18-4-1-2-7-21(18)32-25)15-5-3-6-17-20(29)14-22(31-24(15)17)28-10-12-30-13-11-28/h1-9,14H,10-13H2/q+1
InChIKeyCLYFRLQFIWDJJJ-UHFFFAOYSA-N
MW440.50 g/mol
LogP6.15
Rot. Bonds2

About 4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium

4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium (PubChem CID 58285123) has the molecular formula C25H18N3O3S+ and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium.

Molecular Properties

Compound Name4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium
PubChem CID58285123
Molecular FormulaC25H18N3O3S+
Molecular Weight440.50 g/mol
Exact Mass440.11
IUPAC Name4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium
SMILESN#[N+]c1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12
InChIInChI=1S/C25H18N3O3S/c26-27-19-9-8-16(25-23(19)18-4-1-2-7-21(18)32-25)15-5-3-6-17-20(29)14-22(31-24(15)17)28-10-12-30-13-11-28/h1-9,14H,10-13H2/q+1
InChIKeyCLYFRLQFIWDJJJ-UHFFFAOYSA-N
XLogP6.15
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

Analyze 4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium 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
2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]oxyacetic acid
CID 59752265
2-chloro-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
CID 59752259
2-(2-hydroxyethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
CID 71817380
8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
CID 54757057
8-[1-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]dibenzothiophen-4-yl]-2-morpholin-4-ylchromen-4-one
CID 25169995
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
3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]propanamide
CID 71819013
N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]-3-(3-morpholin-4-ylpropylamino)propanamide
CID 71819014
8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one
CID 23586698
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]propanamide
CID 71818872
2-morpholin-4-yl-8-phenylchromen-4-one
CID 3973

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium?
The IUPAC name of 4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium (CID 58285123) is 4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium.
What is the SMILES notation for 4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium?
The canonical SMILES for 4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium is N#[N+]c1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12.
What is the InChIKey of 4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium?
The InChIKey is CLYFRLQFIWDJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N3O3S/c26-27-19-9-8-16(25-23(19)18-4-1-2-7-21(18)32-25)15-5-3-6-17-20(29)14-22(31-24(15)17)28-10-12-30-13-11-28/h1-9,14H,10-13H2/q+1.
What are the key properties of 4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium?
4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium has a molecular weight of 440.50 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium is sourced from PubChem (CID 58285123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).