12-chloro-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-(4-methylphenyl)-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;7-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-(trifluoromethoxy)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide

C117H86ClF10N17O16S7 — CID 161257845

About 12-chloro-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-(4-methylphenyl)-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;7-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-(trifluoromethoxy)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide

12-chloro-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-(4-methylphenyl)-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;7-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-(trifluoromethoxy)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (PubChem CID 161257845) has the molecular formula C117H86ClF10N17O16S7 and a molecular weight of 2435.98 g/mol. Its IUPAC name is 12-chloro-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-(4-methylphenyl)-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;7-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-(trifluoromethoxy)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.

Molecular Properties

• Compound Name: 12-chloro-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-(4-methylphenyl)-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;7-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-(trifluoromethoxy)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
• PubChem CID: 161257845
• Molecular Formula: C117H86ClF10N17O16S7
• Molecular Weight: 2435.98 g/mol
• Exact Mass: 2433.40
• IUPAC Name: 12-chloro-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-(4-methylphenyl)-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;7-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-(trifluoromethoxy)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
• SMILES: CN1C(c2ccc(F)cc2)c2ccc3cccnc3c2NS1(=O)=O.COc1ccccc1C1c2ccc3cccnc3c2NS(=O)(=O)N1C.Cc1ccc(C2c3ccc4cccnc4c3NS(=O)(=O)N2C)cc1.Cc1cccc2c1S(=O)(=O)Nc1c-2ccc2cccnc12.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(C(F)(F)F)ccc21.O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(OC(F)(F)F)ccc21.O=S1(=O)Nc2c(ccc3cccnc23)-c2ccc(C(F)(F)F)cc21
• InChI: InChI=1S/C18H17N3O3S.C18H17N3O2S.C17H14FN3O2S.C16H8ClF3N2O2S.C16H9F3N2O3S.C16H9F3N2O2S.C16H12N2O2S/c1-21-18(13-7-3-4-8-15(13)24-2)14-10-9-12-6-5-11-19-16(12)17(14)20-25(21,22)23;1-12-5-7-14(8-6-12)18-15-10-9-13-4-3-11-19-16(13)17(15)20-24(22,23)21(18)2;1-21-17(12-4-7-13(18)8-5-12)14-9-6-11-3-2-10-19-15(11)16(14)20-24(21,22)23;17-12-7-11-10-6-8(16(18,19)20)3-4-13(10)25(23,24)22-15(11)14-9(12)2-1-5-21-14;17-16(18,19)24-10-4-6-13-12(8-10)11-5-3-9-2-1-7-20-14(9)15(11)21-25(13,22)23;17-16(18,19)10-4-6-11-12-5-3-9-2-1-7-20-14(9)15(12)21-24(22,23)13(11)8-10;1-10-4-2-6-13-12-8-7-11-5-3-9-17-14(11)15(12)18-21(19,20)16(10)13/h3-11,18,20H,1-2H3;3-11,18,20H,1-2H3;2-10,17,20H,1H3;1-7,22H;1-8,21H;1-8,21H;2-9,18H,1H3
• InChIKey: VCDYDAJLZKAVHD-UHFFFAOYSA-N
• XLogP: 25.20
• TPSA: 441.60 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 5
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2435.98
LogP ≤ 5	25.20
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 12-chloro-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-(4-methylphenyl)-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;7-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-(trifluoromethoxy)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?

The IUPAC name of 12-chloro-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-(4-methylphenyl)-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;7-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-(trifluoromethoxy)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (CID 161257845) is 12-chloro-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-(4-methylphenyl)-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;7-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-(trifluoromethoxy)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.

What is the SMILES notation for 12-chloro-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-(4-methylphenyl)-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;7-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-(trifluoromethoxy)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?

The canonical SMILES for 12-chloro-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-(4-methylphenyl)-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;7-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-(trifluoromethoxy)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is CN1C(c2ccc(F)cc2)c2ccc3cccnc3c2NS1(=O)=O.COc1ccccc1C1c2ccc3cccnc3c2NS(=O)(=O)N1C.Cc1ccc(C2c3ccc4cccnc4c3NS(=O)(=O)N2C)cc1.Cc1cccc2c1S(=O)(=O)Nc1c-2ccc2cccnc12.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(C(F)(F)F)ccc21.O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(OC(F)(F)F)ccc21.O=S1(=O)Nc2c(ccc3cccnc23)-c2ccc(C(F)(F)F)cc21.

What is the InChIKey of 12-chloro-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-(4-methylphenyl)-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;7-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-(trifluoromethoxy)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?

The InChIKey is VCDYDAJLZKAVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S.C18H17N3O2S.C17H14FN3O2S.C16H8ClF3N2O2S.C16H9F3N2O3S.C16H9F3N2O2S.C16H12N2O2S/c1-21-18(13-7-3-4-8-15(13)24-2)14-10-9-12-6-5-11-19-16(12)17(14)20-25(21,22)23;1-12-5-7-14(8-6-12)18-15-10-9-13-4-3-11-19-16(13)17(15)20-24(22,23)21(18)2;1-21-17(12-4-7-13(18)8-5-12)14-9-6-11-3-2-10-19-15(11)16(14)20-24(21,22)23;17-12-7-11-10-6-8(16(18,19)20)3-4-13(10)25(23,24)22-15(11)14-9(12)2-1-5-21-14;17-16(18,19)24-10-4-6-13-12(8-10)11-5-3-9-2-1-7-20-14(9)15(11)21-25(13,22)23;17-16(18,19)10-4-6-11-12-5-3-9-2-1-7-20-14(9)15(12)21-24(22,23)13(11)8-10;1-10-4-2-6-13-12-8-7-11-5-3-9-17-14(11)15(12)18-21(19,20)16(10)13/h3-11,18,20H,1-2H3;3-11,18,20H,1-2H3;2-10,17,20H,1H3;1-7,22H;1-8,21H;1-8,21H;2-9,18H,1H3.

What are the key properties of 12-chloro-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-(4-methylphenyl)-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;7-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-(trifluoromethoxy)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?

12-chloro-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-(4-methylphenyl)-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;7-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-(trifluoromethoxy)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide has a molecular weight of 2435.98 g/mol, XLogP of 25.20, 5 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 12-chloro-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-(4-methylphenyl)-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;7-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-(trifluoromethoxy)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is sourced from PubChem (CID 161257845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).