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

C16H9F3N2O2S — CID 16759909

IUPAC9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
SMILESO=S1(=O)Nc2c(ccc3cccnc23)-c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H9F3N2O2S/c17-16(18,19)10-4-6-13-12(8-10)11-5-3-9-2-1-7-20-14(9)15(11)21-24(13,22)23/h1-8,21H
InChIKeyCELCJNIQYYQLHB-UHFFFAOYSA-N
MW350.32 g/mol
LogP4.03
Rot. Bonds

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

9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (PubChem CID 16759909) has the molecular formula C16H9F3N2O2S and a molecular weight of 350.32 g/mol. Its IUPAC name is 9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.

Molecular Properties

Compound Name9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
PubChem CID16759909
Molecular FormulaC16H9F3N2O2S
Molecular Weight350.32 g/mol
Exact Mass350.03
IUPAC Name9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
SMILESO=S1(=O)Nc2c(ccc3cccnc23)-c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H9F3N2O2S/c17-16(18,19)10-4-6-13-12(8-10)11-5-3-9-2-1-7-20-14(9)15(11)21-24(13,22)23/h1-8,21H
InChIKeyCELCJNIQYYQLHB-UHFFFAOYSA-N
XLogP4.03
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The IUPAC name of 9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (CID 16759909) is 9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.
What is the SMILES notation for 9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The canonical SMILES for 9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The InChIKey is CELCJNIQYYQLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O2S/c17-16(18,19)10-4-6-13-12(8-10)11-5-3-9-2-1-7-20-14(9)15(11)21-24(13,22)23/h1-8,21H.
What are the key properties of 9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide has a molecular weight of 350.32 g/mol, XLogP of 4.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is sourced from PubChem (CID 16759909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).