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Basic information
- CAS
361150-62-1- Standard SMILES
O=c1c2ccccc2[nH]c(=S)n1CCCn1ccnc1- InChIKey
QDGPWKXRMZRCIT-UHFFFAOYSA-N- Molecular formula
- C14H14N4OS
- Average molar mass
- 286.35 g/mol
- Monoisotopic mass
- 286.08883207
Names & identifiers
- Preferred name
- 3-(3-imidazol-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one
- IUPAC
- 3-(3-imidazol-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one
Names & synonyms
3-(3-imidazol-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one361150-62-1CBKinase1_010508CBKinase1_022908Oprea1_184321MLS001197618SCHEMBL5131585CHEMBL1490888SCHEMBL21637901QDGPWKXRMZRCIT-UHFFFAOYSA-NDTXSID301331823HMS1595A04
Show more names
HMS2872H10STK464164AKOS001364567AKOS003364286CCG-203542SMR000559973ST50906226SR-01000556663
Database identifiers
- CAS
361150-62-1- PubChem CID
- 866363
- DTXSID
DTXSID301331823- ChEMBL
CHEMBL1490888
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 389
Experimental & physicochemical properties
Solubility19.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
1 records
Compound notes
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