Basic information
- CAS
61554-69-6- Standard SMILES
CCCSCc1nc2ccccc2c(=O)n1-c1ccccc1C- InChIKey
HCMBQCAGPCKIDU-UHFFFAOYSA-N- Molecular formula
- C19H20N2OS
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.12963444
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 2-propylthiomethyl-3-(o-tolyl)-
- IUPAC
- 3-(2-methylphenyl)-2-(propylsulfanylmethyl)quinazolin-4-one
- English name
- 3-(2-Methylphenyl)-2-[(propylthio)methyl]quinazolin-4(3H)-one
- Molecular formula
- C19H20N2OS
- Molecular weight
- 324.44
Names & synonyms
BRN 076007561554-69-64(3H)-Quinazolinone, 2-propylthiomethyl-3-(o-tolyl)-2-n-Propylthiomethyl-3-(o-tolyl)-4(3H)-quinazoloneDTXSID802105445-25-02-00023 (Beilstein Handbook Reference)RefChem:283903DTXCID10133035CHEMBL3251256DB-3037853-(2-methylphenyl)-2-[(propylsulfanyl)methyl]quinazolin-4(3H)-one3-(2-Methylphenyl)-2-[(propylthio)methyl ]quinazolin-4(3h)-one
Show more names
3-(2-Methylphenyl)-2-[(propylthio)methyl]quinazolin-4(3H)-one4(3H)-Quinazolinone, 3-(2-methylphenyl)-2-[(propylthio)methyl]-
Database identifiers
- CAS
61554-69-6- PubChem CID
- 63149
- DTXSID
DTXSID80210544- ChEMBL
CHEMBL3251256- Nikkaji
- J73.440C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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