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

C17H11F3N2OS — CID 126516460

IUPAC12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine
SMILESCOc1cc2c(c3ncccc13)NSc1ccc(C(F)(F)F)cc1-2
InChIInChI=1S/C17H11F3N2OS/c1-23-13-8-12-11-7-9(17(18,19)20)4-5-14(11)24-22-16(12)15-10(13)3-2-6-21-15/h2-8,22H,1H3
InChIKeyUZALSYDNAIKZEM-UHFFFAOYSA-N
MW348.35 g/mol
LogP5.36
Rot. Bonds1

About 12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine

12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine (PubChem CID 126516460) has the molecular formula C17H11F3N2OS and a molecular weight of 348.35 g/mol. Its IUPAC name is 12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine.

Molecular Properties

Compound Name12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine
PubChem CID126516460
Molecular FormulaC17H11F3N2OS
Molecular Weight348.35 g/mol
Exact Mass348.05
IUPAC Name12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine
SMILESCOc1cc2c(c3ncccc13)NSc1ccc(C(F)(F)F)cc1-2
InChIInChI=1S/C17H11F3N2OS/c1-23-13-8-12-11-7-9(17(18,19)20)4-5-14(11)24-22-16(12)15-10(13)3-2-6-21-15/h2-8,22H,1H3
InChIKeyUZALSYDNAIKZEM-UHFFFAOYSA-N
XLogP5.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.35
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine?
The IUPAC name of 12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine (CID 126516460) is 12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine.
What is the SMILES notation for 12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine?
The canonical SMILES for 12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine is COc1cc2c(c3ncccc13)NSc1ccc(C(F)(F)F)cc1-2.
What is the InChIKey of 12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine?
The InChIKey is UZALSYDNAIKZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2OS/c1-23-13-8-12-11-7-9(17(18,19)20)4-5-14(11)24-22-16(12)15-10(13)3-2-6-21-15/h2-8,22H,1H3.
What are the key properties of 12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine?
12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine has a molecular weight of 348.35 g/mol, XLogP of 5.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine is sourced from PubChem (CID 126516460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).