imidazo[4,5-c]quinoline-4-thione

C10H5N3S — CID 18994621

IUPACimidazo[4,5-c]quinoline-4-thione
SMILESS=C1N=c2ccccc2=C2N=CN=C12
InChIInChI=1S/C10H5N3S/c14-10-9-8(11-5-12-9)6-3-1-2-4-7(6)13-10/h1-5H
InChIKeyBSNIOFUNVFGSFP-UHFFFAOYSA-N
MW199.24 g/mol
LogP0.24
Rot. Bonds

About imidazo[4,5-c]quinoline-4-thione

imidazo[4,5-c]quinoline-4-thione (PubChem CID 18994621) has the molecular formula C10H5N3S and a molecular weight of 199.24 g/mol. Its IUPAC name is imidazo[4,5-c]quinoline-4-thione.

Molecular Properties

Compound Nameimidazo[4,5-c]quinoline-4-thione
PubChem CID18994621
Molecular FormulaC10H5N3S
Molecular Weight199.24 g/mol
Exact Mass199.02
IUPAC Nameimidazo[4,5-c]quinoline-4-thione
SMILESS=C1N=c2ccccc2=C2N=CN=C12
InChIInChI=1S/C10H5N3S/c14-10-9-8(11-5-12-9)6-3-1-2-4-7(6)13-10/h1-5H
InChIKeyBSNIOFUNVFGSFP-UHFFFAOYSA-N
XLogP0.24
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of imidazo[4,5-c]quinoline-4-thione?
The IUPAC name of imidazo[4,5-c]quinoline-4-thione (CID 18994621) is imidazo[4,5-c]quinoline-4-thione.
What is the SMILES notation for imidazo[4,5-c]quinoline-4-thione?
The canonical SMILES for imidazo[4,5-c]quinoline-4-thione is S=C1N=c2ccccc2=C2N=CN=C12.
What is the InChIKey of imidazo[4,5-c]quinoline-4-thione?
The InChIKey is BSNIOFUNVFGSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N3S/c14-10-9-8(11-5-12-9)6-3-1-2-4-7(6)13-10/h1-5H.
What are the key properties of imidazo[4,5-c]quinoline-4-thione?
imidazo[4,5-c]quinoline-4-thione has a molecular weight of 199.24 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[4,5-c]quinoline-4-thione is sourced from PubChem (CID 18994621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).