[1,3]benzothiazolo[4,5-h]quinoline 1-oxide

C14H8N2OS — CID 67832025

IUPAC[1,3]benzothiazolo[4,5-h]quinoline 1-oxide
SMILESO=S1C=Nc2c1ccc1c2ccc2cccnc21
InChIInChI=1S/C14H8N2OS/c17-18-8-16-14-11-4-3-9-2-1-7-15-13(9)10(11)5-6-12(14)18/h1-8H
InChIKeyGCHGKXWLDJRGAK-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.17
Rot. Bonds

About [1,3]benzothiazolo[4,5-h]quinoline 1-oxide

[1,3]benzothiazolo[4,5-h]quinoline 1-oxide (PubChem CID 67832025) has the molecular formula C14H8N2OS and a molecular weight of 252.30 g/mol. Its IUPAC name is [1,3]benzothiazolo[4,5-h]quinoline 1-oxide.

Molecular Properties

Compound Name[1,3]benzothiazolo[4,5-h]quinoline 1-oxide
PubChem CID67832025
Molecular FormulaC14H8N2OS
Molecular Weight252.30 g/mol
Exact Mass252.04
IUPAC Name[1,3]benzothiazolo[4,5-h]quinoline 1-oxide
SMILESO=S1C=Nc2c1ccc1c2ccc2cccnc21
InChIInChI=1S/C14H8N2OS/c17-18-8-16-14-11-4-3-9-2-1-7-15-13(9)10(11)5-6-12(14)18/h1-8H
InChIKeyGCHGKXWLDJRGAK-UHFFFAOYSA-N
XLogP3.17
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

[1,3]benzothiazolo[4,5-h]quinoline
CID 69275376
benzimidazolo[4,5-h]quinolin-2-one
CID 67327587
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
benzo[h]quinoline;naphthalene
CID 175017782
CID 87856781
CID 87856781
3,18-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1,3,5,7,9(23),10,12(24),13,15,17,19,21-dodecaene
CID 27931

Frequently Asked Questions

What is the IUPAC name of [1,3]benzothiazolo[4,5-h]quinoline 1-oxide?
The IUPAC name of [1,3]benzothiazolo[4,5-h]quinoline 1-oxide (CID 67832025) is [1,3]benzothiazolo[4,5-h]quinoline 1-oxide.
What is the SMILES notation for [1,3]benzothiazolo[4,5-h]quinoline 1-oxide?
The canonical SMILES for [1,3]benzothiazolo[4,5-h]quinoline 1-oxide is O=S1C=Nc2c1ccc1c2ccc2cccnc21.
What is the InChIKey of [1,3]benzothiazolo[4,5-h]quinoline 1-oxide?
The InChIKey is GCHGKXWLDJRGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2OS/c17-18-8-16-14-11-4-3-9-2-1-7-15-13(9)10(11)5-6-12(14)18/h1-8H.
What are the key properties of [1,3]benzothiazolo[4,5-h]quinoline 1-oxide?
[1,3]benzothiazolo[4,5-h]quinoline 1-oxide has a molecular weight of 252.30 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]benzothiazolo[4,5-h]quinoline 1-oxide is sourced from PubChem (CID 67832025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).