1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanol

C21H21N3O4S — CID 123857887

IUPAC1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanol
SMILESO=S1(=O)Nc2c(cc(C(O)CN3CCOCC3)c3cccnc23)-c2ccccc21
InChIInChI=1S/C21H21N3O4S/c25-18(13-24-8-10-28-11-9-24)16-12-17-14-4-1-2-6-19(14)29(26,27)23-21(17)20-15(16)5-3-7-22-20/h1-7,12,18,23,25H,8-11,13H2
InChIKeyJTVVMKJOLCLMDH-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.38
Rot. Bonds3

About 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanol

1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanol (PubChem CID 123857887) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanol.

Molecular Properties

Compound Name1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanol
PubChem CID123857887
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanol
SMILESO=S1(=O)Nc2c(cc(C(O)CN3CCOCC3)c3cccnc23)-c2ccccc21
InChIInChI=1S/C21H21N3O4S/c25-18(13-24-8-10-28-11-9-24)16-12-17-14-4-1-2-6-19(14)29(26,27)23-21(17)20-15(16)5-3-7-22-20/h1-7,12,18,23,25H,8-11,13H2
InChIKeyJTVVMKJOLCLMDH-UHFFFAOYSA-N
XLogP2.38
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanol?
The IUPAC name of 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanol (CID 123857887) is 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanol.
What is the SMILES notation for 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanol?
The canonical SMILES for 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanol is O=S1(=O)Nc2c(cc(C(O)CN3CCOCC3)c3cccnc23)-c2ccccc21.
What is the InChIKey of 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanol?
The InChIKey is JTVVMKJOLCLMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c25-18(13-24-8-10-28-11-9-24)16-12-17-14-4-1-2-6-19(14)29(26,27)23-21(17)20-15(16)5-3-7-22-20/h1-7,12,18,23,25H,8-11,13H2.
What are the key properties of 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanol?
1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanol has a molecular weight of 411.48 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanol is sourced from PubChem (CID 123857887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).