9-methoxy-6H-quinolino[3,2-b][1,4]benzothiazine

C16H12N2OS — CID 102363107

IUPAC9-methoxy-6H-quinolino[3,2-b][1,4]benzothiazine
SMILESCOc1ccc2c(c1)Sc1cc3ccccc3nc1N2
InChIInChI=1S/C16H12N2OS/c1-19-11-6-7-13-14(9-11)20-15-8-10-4-2-3-5-12(10)17-16(15)18-13/h2-9H,1H3,(H,17,18)
InChIKeyRKAAXMKQRYKLSL-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.45
Rot. Bonds1

About 9-methoxy-6H-quinolino[3,2-b][1,4]benzothiazine

9-methoxy-6H-quinolino[3,2-b][1,4]benzothiazine (PubChem CID 102363107) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is 9-methoxy-6H-quinolino[3,2-b][1,4]benzothiazine.

Molecular Properties

Compound Name9-methoxy-6H-quinolino[3,2-b][1,4]benzothiazine
PubChem CID102363107
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name9-methoxy-6H-quinolino[3,2-b][1,4]benzothiazine
SMILESCOc1ccc2c(c1)Sc1cc3ccccc3nc1N2
InChIInChI=1S/C16H12N2OS/c1-19-11-6-7-13-14(9-11)20-15-8-10-4-2-3-5-12(10)17-16(15)18-13/h2-9H,1H3,(H,17,18)
InChIKeyRKAAXMKQRYKLSL-UHFFFAOYSA-N
XLogP4.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6H-quinolino[3,2-b][1,4]benzothiazine?
The IUPAC name of 9-methoxy-6H-quinolino[3,2-b][1,4]benzothiazine (CID 102363107) is 9-methoxy-6H-quinolino[3,2-b][1,4]benzothiazine.
What is the SMILES notation for 9-methoxy-6H-quinolino[3,2-b][1,4]benzothiazine?
The canonical SMILES for 9-methoxy-6H-quinolino[3,2-b][1,4]benzothiazine is COc1ccc2c(c1)Sc1cc3ccccc3nc1N2.
What is the InChIKey of 9-methoxy-6H-quinolino[3,2-b][1,4]benzothiazine?
The InChIKey is RKAAXMKQRYKLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c1-19-11-6-7-13-14(9-11)20-15-8-10-4-2-3-5-12(10)17-16(15)18-13/h2-9H,1H3,(H,17,18).
What are the key properties of 9-methoxy-6H-quinolino[3,2-b][1,4]benzothiazine?
9-methoxy-6H-quinolino[3,2-b][1,4]benzothiazine has a molecular weight of 280.35 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6H-quinolino[3,2-b][1,4]benzothiazine is sourced from PubChem (CID 102363107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).