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;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide

C95H81F3N12O16S5 — CID 160608208

IUPAC1-(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;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
SMILESCC(O)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.COc1cc2c(c3ncccc13)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-2.COc1ccnc2c3c(ccc12)-c1ccccc1S(=O)(=O)N3.O=C(CCCN1CCCCC1)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.O=C(CN1CCOCC1)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2
InChIInChI=1S/C24H25N3O3S.C21H19N3O4S.C17H11F3N2O3S.C17H14N2O3S.C16H12N2O3S/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;25-18(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;1-25-13-8-12-11-7-9(17(18,19)20)4-5-14(11)26(23,24)22-16(12)15-10(13)3-2-6-21-15;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;1-21-13-8-9-17-15-12(13)7-6-11-10-4-2-3-5-14(10)22(19,20)18-16(11)15/h2-3,6,8-9,11-12,16,26H,1,4-5,7,10,13-15H2;1-7,12,23H,8-11,13H2;2-8,22H,1H3;2-10,19-20H,1H3;2-9,18H,1H3
InChIKeyRFDULCXANJOMER-UHFFFAOYSA-N
MW1864.09 g/mol
LogP17.13
Rot. Bonds11

About 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;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide

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;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (PubChem CID 160608208) has the molecular formula C95H81F3N12O16S5 and a molecular weight of 1864.09 g/mol. Its IUPAC name is 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;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.

Molecular Properties

Compound Name1-(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;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
PubChem CID160608208
Molecular FormulaC95H81F3N12O16S5
Molecular Weight1864.09 g/mol
Exact Mass1862.44
IUPAC Name1-(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;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
SMILESCC(O)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.COc1cc2c(c3ncccc13)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-2.COc1ccnc2c3c(ccc12)-c1ccccc1S(=O)(=O)N3.O=C(CCCN1CCCCC1)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.O=C(CN1CCOCC1)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2
InChIInChI=1S/C24H25N3O3S.C21H19N3O4S.C17H11F3N2O3S.C17H14N2O3S.C16H12N2O3S/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;25-18(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;1-25-13-8-12-11-7-9(17(18,19)20)4-5-14(11)26(23,24)22-16(12)15-10(13)3-2-6-21-15;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;1-21-13-8-9-17-15-12(13)7-6-11-10-4-2-3-5-14(10)22(19,20)18-16(11)15/h2-3,6,8-9,11-12,16,26H,1,4-5,7,10,13-15H2;1-7,12,23H,8-11,13H2;2-8,22H,1H3;2-10,19-20H,1H3;2-9,18H,1H3
InChIKeyRFDULCXANJOMER-UHFFFAOYSA-N
XLogP17.13
TPSA383.84 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds11
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001864.09
LogP ≤ 517.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 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;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide 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

1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(5-morpholin-4-ylquinolin-8-yl)benzenesulfonamide
CID 158528441
8,9-dimethyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;11-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 158715901
(1S)-1-[2-hydroxy-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-[[3-(trifluoromethoxy)phenyl]methyl]-2H-quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;4-[[7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-yl]oxymethyl]benzenesulfonamide;7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]quinolin-2-one;(1S)-1-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-[[3-(trifluoromethoxy)phenyl]methoxy]quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 160390660
3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;11-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;3-methyl-4-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;12-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;3-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide
CID 162214867
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

Frequently Asked Questions

What is the IUPAC name of 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;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The IUPAC name of 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;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (CID 160608208) is 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;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.
What is the SMILES notation for 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;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The canonical SMILES for 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;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is CC(O)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.COc1cc2c(c3ncccc13)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-2.COc1ccnc2c3c(ccc12)-c1ccccc1S(=O)(=O)N3.O=C(CCCN1CCCCC1)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.O=C(CN1CCOCC1)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.
What is the InChIKey of 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;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The InChIKey is RFDULCXANJOMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S.C21H19N3O4S.C17H11F3N2O3S.C17H14N2O3S.C16H12N2O3S/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;25-18(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;1-25-13-8-12-11-7-9(17(18,19)20)4-5-14(11)26(23,24)22-16(12)15-10(13)3-2-6-21-15;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;1-21-13-8-9-17-15-12(13)7-6-11-10-4-2-3-5-14(10)22(19,20)18-16(11)15/h2-3,6,8-9,11-12,16,26H,1,4-5,7,10,13-15H2;1-7,12,23H,8-11,13H2;2-8,22H,1H3;2-10,19-20H,1H3;2-9,18H,1H3.
What are the key properties of 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;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
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;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide has a molecular weight of 1864.09 g/mol, XLogP of 17.13, 11 rotatable bonds, 6 hydrogen bond donors, and 23 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)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;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is sourced from PubChem (CID 160608208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).