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

C15H9ClN2O2S — CID 16759933

IUPAC9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
SMILESO=S1(=O)Nc2c(ccc3cccnc23)-c2cc(Cl)ccc21
InChIInChI=1S/C15H9ClN2O2S/c16-10-4-6-13-12(8-10)11-5-3-9-2-1-7-17-14(9)15(11)18-21(13,19)20/h1-8,18H
InChIKeyJVPPTVNJBXFSPQ-UHFFFAOYSA-N
MW316.77 g/mol
LogP3.67
Rot. Bonds

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

9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (PubChem CID 16759933) has the molecular formula C15H9ClN2O2S and a molecular weight of 316.77 g/mol. Its IUPAC name is 9-chloro-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
PubChem CID16759933
Molecular FormulaC15H9ClN2O2S
Molecular Weight316.77 g/mol
Exact Mass316.01
IUPAC Name9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
SMILESO=S1(=O)Nc2c(ccc3cccnc23)-c2cc(Cl)ccc21
InChIInChI=1S/C15H9ClN2O2S/c16-10-4-6-13-12(8-10)11-5-3-9-2-1-7-17-14(9)15(11)18-21(13,19)20/h1-8,18H
InChIKeyJVPPTVNJBXFSPQ-UHFFFAOYSA-N
XLogP3.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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?
The IUPAC name of 9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (CID 16759933) is 9-chloro-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?
The canonical SMILES for 9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(Cl)ccc21.
What is the InChIKey of 9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The InChIKey is JVPPTVNJBXFSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O2S/c16-10-4-6-13-12(8-10)11-5-3-9-2-1-7-17-14(9)15(11)18-21(13,19)20/h1-8,18H.
What are the key properties of 9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
9-chloro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide has a molecular weight of 316.77 g/mol, XLogP of 3.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 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 is sourced from PubChem (CID 16759933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).