4-(dimethylamino)-1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)butan-1-one;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)ethanol;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanone;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide

C105H97N13O16S5 — CID 158901814

IUPAC4-(dimethylamino)-1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)butan-1-one;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)ethanol;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanone;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide
SMILESCC(O)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.CN(C)CCCC(=O)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.O=C(CCCN1CCCCC1)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.O=C(CN1CCOCC1)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.O=S(=O)(Nc1ccc(OCc2ccccc2)c2cccnc12)c1ccccc1
InChIInChI=1S/C24H25N3O3S.C22H18N2O3S.C21H19N3O4S.C21H21N3O3S.C17H14N2O3S/c28-21(10-7-15-27-13-4-1-5-14-27)19-16-20-17-8-2-3-11-22(17)31(29,30)26-24(20)23-18(19)9-6-12-25-23;25-28(26,18-10-5-2-6-11-18)24-20-13-14-21(19-12-7-15-23-22(19)20)27-16-17-8-3-1-4-9-17;25-18(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;1-24(2)12-6-9-18(25)16-13-17-14-7-3-4-10-19(14)28(26,27)23-21(17)20-15(16)8-5-11-22-20;1-10(20)13-9-14-11-5-2-3-7-15(11)23(21,22)19-17(14)16-12(13)6-4-8-18-16/h2-3,6,8-9,11-12,16,26H,1,4-5,7,10,13-15H2;1-15,24H,16H2;1-7,12,23H,8-11,13H2;3-5,7-8,10-11,13,23H,6,9,12H2,1-2H3;2-10,19-20H,1H3
InChIKeyJFNUAZMBGUHHTH-UHFFFAOYSA-N
MW1957.34 g/mol
LogP18.22
Rot. Bonds20

About 4-(dimethylamino)-1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)butan-1-one;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)ethanol;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanone;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide

4-(dimethylamino)-1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)butan-1-one;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)ethanol;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanone;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide (PubChem CID 158901814) has the molecular formula C105H97N13O16S5 and a molecular weight of 1957.34 g/mol. Its IUPAC name is 4-(dimethylamino)-1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)butan-1-one;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)ethanol;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanone;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(dimethylamino)-1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)butan-1-one;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)ethanol;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanone;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide
PubChem CID158901814
Molecular FormulaC105H97N13O16S5
Molecular Weight1957.34 g/mol
Exact Mass1955.58
IUPAC Name4-(dimethylamino)-1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)butan-1-one;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)ethanol;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanone;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide
SMILESCC(O)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.CN(C)CCCC(=O)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.O=C(CCCN1CCCCC1)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.O=C(CN1CCOCC1)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.O=S(=O)(Nc1ccc(OCc2ccccc2)c2cccnc12)c1ccccc1
InChIInChI=1S/C24H25N3O3S.C22H18N2O3S.C21H19N3O4S.C21H21N3O3S.C17H14N2O3S/c28-21(10-7-15-27-13-4-1-5-14-27)19-16-20-17-8-2-3-11-22(17)31(29,30)26-24(20)23-18(19)9-6-12-25-23;25-28(26,18-10-5-2-6-11-18)24-20-13-14-21(19-12-7-15-23-22(19)20)27-16-17-8-3-1-4-9-17;25-18(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;1-24(2)12-6-9-18(25)16-13-17-14-7-3-4-10-19(14)28(26,27)23-21(17)20-15(16)8-5-11-22-20;1-10(20)13-9-14-11-5-2-3-7-15(11)23(21,22)19-17(14)16-12(13)6-4-8-18-16/h2-3,6,8-9,11-12,16,26H,1,4-5,7,10,13-15H2;1-15,24H,16H2;1-7,12,23H,8-11,13H2;3-5,7-8,10-11,13,23H,6,9,12H2,1-2H3;2-10,19-20H,1H3
InChIKeyJFNUAZMBGUHHTH-UHFFFAOYSA-N
XLogP18.22
TPSA394.92 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001957.34
LogP ≤ 518.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 4-(dimethylamino)-1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)butan-1-one;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)ethanol;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanone;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)butan-1-one;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)ethanol;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanone;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide?
The IUPAC name of 4-(dimethylamino)-1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)butan-1-one;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)ethanol;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanone;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide (CID 158901814) is 4-(dimethylamino)-1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)butan-1-one;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)ethanol;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanone;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-(dimethylamino)-1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)butan-1-one;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)ethanol;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanone;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-(dimethylamino)-1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)butan-1-one;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)ethanol;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanone;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide is CC(O)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.CN(C)CCCC(=O)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.O=C(CCCN1CCCCC1)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.O=C(CN1CCOCC1)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.O=S(=O)(Nc1ccc(OCc2ccccc2)c2cccnc12)c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)butan-1-one;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)ethanol;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanone;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide?
The InChIKey is JFNUAZMBGUHHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S.C22H18N2O3S.C21H19N3O4S.C21H21N3O3S.C17H14N2O3S/c28-21(10-7-15-27-13-4-1-5-14-27)19-16-20-17-8-2-3-11-22(17)31(29,30)26-24(20)23-18(19)9-6-12-25-23;25-28(26,18-10-5-2-6-11-18)24-20-13-14-21(19-12-7-15-23-22(19)20)27-16-17-8-3-1-4-9-17;25-18(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;1-24(2)12-6-9-18(25)16-13-17-14-7-3-4-10-19(14)28(26,27)23-21(17)20-15(16)8-5-11-22-20;1-10(20)13-9-14-11-5-2-3-7-15(11)23(21,22)19-17(14)16-12(13)6-4-8-18-16/h2-3,6,8-9,11-12,16,26H,1,4-5,7,10,13-15H2;1-15,24H,16H2;1-7,12,23H,8-11,13H2;3-5,7-8,10-11,13,23H,6,9,12H2,1-2H3;2-10,19-20H,1H3.
What are the key properties of 4-(dimethylamino)-1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)butan-1-one;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)ethanol;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanone;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide?
4-(dimethylamino)-1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)butan-1-one;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)ethanol;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanone;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide has a molecular weight of 1957.34 g/mol, XLogP of 18.22, 20 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)butan-1-one;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)ethanol;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanone;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 158901814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).