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

C16H12N2O3S — CID 16759954

IUPAC9-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
SMILESCOc1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O
InChIInChI=1S/C16H12N2O3S/c1-21-11-5-7-14-13(9-11)12-6-4-10-3-2-8-17-15(10)16(12)18-22(14,19)20/h2-9,18H,1H3
InChIKeySLHPCVSVVGUJGP-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.02
Rot. Bonds1

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

9-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (PubChem CID 16759954) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is 9-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.

Molecular Properties

Compound Name9-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
PubChem CID16759954
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC Name9-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
SMILESCOc1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O
InChIInChI=1S/C16H12N2O3S/c1-21-11-5-7-14-13(9-11)12-6-4-10-3-2-8-17-15(10)16(12)18-22(14,19)20/h2-9,18H,1H3
InChIKeySLHPCVSVVGUJGP-UHFFFAOYSA-N
XLogP3.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The IUPAC name of 9-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (CID 16759954) is 9-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.
What is the SMILES notation for 9-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The canonical SMILES for 9-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is COc1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O.
What is the InChIKey of 9-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The InChIKey is SLHPCVSVVGUJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c1-21-11-5-7-14-13(9-11)12-6-4-10-3-2-8-17-15(10)16(12)18-22(14,19)20/h2-9,18H,1H3.
What are the key properties of 9-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
9-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide has a molecular weight of 312.35 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is sourced from PubChem (CID 16759954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).