9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide

C93H63Cl2FN12O13S6 — CID 159107762

IUPAC9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
SMILESCOc1ccc2c(c1)S(=O)(=O)Nc1c-2ccc2cccnc12.Cc1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O.Cc1ccc2c(c1)S(=O)(=O)Nc1c-2ccc2cccnc12.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2ccccc21.O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(Cl)ccc21.O=S1(=O)Nc2c(ccc3cccnc23)-c2ccc(F)cc21
InChIInChI=1S/C16H12N2O3S.2C16H12N2O2S.2C15H9ClN2O2S.C15H9FN2O2S/c1-21-11-5-7-12-13-6-4-10-3-2-8-17-15(10)16(13)18-22(19,20)14(12)9-11;1-10-4-7-14-13(9-10)12-6-5-11-3-2-8-17-15(11)16(12)18-21(14,19)20;1-10-4-6-12-13-7-5-11-3-2-8-17-15(11)16(13)18-21(19,20)14(12)9-10;16-10-4-6-13-12(8-10)11-5-3-9-2-1-7-17-14(9)15(11)18-21(13,19)20;16-12-8-11-9-4-1-2-6-13(9)21(19,20)18-15(11)14-10(12)5-3-7-17-14;16-10-4-6-11-12-5-3-9-2-1-7-17-14(9)15(12)18-21(19,20)13(11)8-10/h2-9,18H,1H3;2*2-9,18H,1H3;3*1-8,18H
InChIKeyKECKBBFJVVVMBJ-UHFFFAOYSA-N
MW1838.90 g/mol
LogP20.17
Rot. Bonds1

About 9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide

9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (PubChem CID 159107762) has the molecular formula C93H63Cl2FN12O13S6 and a molecular weight of 1838.90 g/mol. Its IUPAC name is 9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.

Molecular Properties

Compound Name9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
PubChem CID159107762
Molecular FormulaC93H63Cl2FN12O13S6
Molecular Weight1838.90 g/mol
Exact Mass1836.23
IUPAC Name9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
SMILESCOc1ccc2c(c1)S(=O)(=O)Nc1c-2ccc2cccnc12.Cc1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O.Cc1ccc2c(c1)S(=O)(=O)Nc1c-2ccc2cccnc12.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2ccccc21.O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(Cl)ccc21.O=S1(=O)Nc2c(ccc3cccnc23)-c2ccc(F)cc21
InChIInChI=1S/C16H12N2O3S.2C16H12N2O2S.2C15H9ClN2O2S.C15H9FN2O2S/c1-21-11-5-7-12-13-6-4-10-3-2-8-17-15(10)16(13)18-22(19,20)14(12)9-11;1-10-4-7-14-13(9-10)12-6-5-11-3-2-8-17-15(11)16(12)18-21(14,19)20;1-10-4-6-12-13-7-5-11-3-2-8-17-15(11)16(13)18-21(19,20)14(12)9-10;16-10-4-6-13-12(8-10)11-5-3-9-2-1-7-17-14(9)15(11)18-21(13,19)20;16-12-8-11-9-4-1-2-6-13(9)21(19,20)18-15(11)14-10(12)5-3-7-17-14;16-10-4-6-11-12-5-3-9-2-1-7-17-14(9)15(12)18-21(19,20)13(11)8-10/h2-9,18H,1H3;2*2-9,18H,1H3;3*1-8,18H
InChIKeyKECKBBFJVVVMBJ-UHFFFAOYSA-N
XLogP20.17
TPSA363.59 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds1
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001838.90
LogP ≤ 520.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The IUPAC name of 9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (CID 159107762) is 9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.
What is the SMILES notation for 9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The canonical SMILES for 9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is COc1ccc2c(c1)S(=O)(=O)Nc1c-2ccc2cccnc12.Cc1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O.Cc1ccc2c(c1)S(=O)(=O)Nc1c-2ccc2cccnc12.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2ccccc21.O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(Cl)ccc21.O=S1(=O)Nc2c(ccc3cccnc23)-c2ccc(F)cc21.
What is the InChIKey of 9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The InChIKey is KECKBBFJVVVMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S.2C16H12N2O2S.2C15H9ClN2O2S.C15H9FN2O2S/c1-21-11-5-7-12-13-6-4-10-3-2-8-17-15(10)16(13)18-22(19,20)14(12)9-11;1-10-4-7-14-13(9-10)12-6-5-11-3-2-8-17-15(11)16(12)18-21(14,19)20;1-10-4-6-12-13-7-5-11-3-2-8-17-15(11)16(13)18-21(19,20)14(12)9-10;16-10-4-6-13-12(8-10)11-5-3-9-2-1-7-17-14(9)15(11)18-21(13,19)20;16-12-8-11-9-4-1-2-6-13(9)21(19,20)18-15(11)14-10(12)5-3-7-17-14;16-10-4-6-11-12-5-3-9-2-1-7-17-14(9)15(12)18-21(19,20)13(11)8-10/h2-9,18H,1H3;2*2-9,18H,1H3;3*1-8,18H.
What are the key properties of 9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide has a molecular weight of 1838.90 g/mol, XLogP of 20.17, 1 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;8-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is sourced from PubChem (CID 159107762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).