imidazo[1,5-a]quinolin-1-yl thiocyanate

C12H7N3S — CID 175713096

IUPACimidazo[1,5-a]quinolin-1-yl thiocyanate
SMILESN#CSc1ncc2ccc3ccccc3n12
InChIInChI=1S/C12H7N3S/c13-8-16-12-14-7-10-6-5-9-3-1-2-4-11(9)15(10)12/h1-7H
InChIKeyGMXPLOVHGJIYDR-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.06
Rot. Bonds1

About imidazo[1,5-a]quinolin-1-yl thiocyanate

imidazo[1,5-a]quinolin-1-yl thiocyanate (PubChem CID 175713096) has the molecular formula C12H7N3S and a molecular weight of 225.28 g/mol. Its IUPAC name is imidazo[1,5-a]quinolin-1-yl thiocyanate.

Molecular Properties

Compound Nameimidazo[1,5-a]quinolin-1-yl thiocyanate
PubChem CID175713096
Molecular FormulaC12H7N3S
Molecular Weight225.28 g/mol
Exact Mass225.04
IUPAC Nameimidazo[1,5-a]quinolin-1-yl thiocyanate
SMILESN#CSc1ncc2ccc3ccccc3n12
InChIInChI=1S/C12H7N3S/c13-8-16-12-14-7-10-6-5-9-3-1-2-4-11(9)15(10)12/h1-7H
InChIKeyGMXPLOVHGJIYDR-UHFFFAOYSA-N
XLogP3.06
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,5-a]quinolin-1-yl thiocyanate?
The IUPAC name of imidazo[1,5-a]quinolin-1-yl thiocyanate (CID 175713096) is imidazo[1,5-a]quinolin-1-yl thiocyanate.
What is the SMILES notation for imidazo[1,5-a]quinolin-1-yl thiocyanate?
The canonical SMILES for imidazo[1,5-a]quinolin-1-yl thiocyanate is N#CSc1ncc2ccc3ccccc3n12.
What is the InChIKey of imidazo[1,5-a]quinolin-1-yl thiocyanate?
The InChIKey is GMXPLOVHGJIYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3S/c13-8-16-12-14-7-10-6-5-9-3-1-2-4-11(9)15(10)12/h1-7H.
What are the key properties of imidazo[1,5-a]quinolin-1-yl thiocyanate?
imidazo[1,5-a]quinolin-1-yl thiocyanate has a molecular weight of 225.28 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,5-a]quinolin-1-yl thiocyanate is sourced from PubChem (CID 175713096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).