Basic information
- CAS
70933-79-8- Standard SMILES
Cc1ccc(-n2c(SCCN(C)C)nc3ccccc3c2=O)cc1- InChIKey
OENKYCWHAUTGAF-UHFFFAOYSA-N- Molecular formula
- C19H21N3OS
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.14053348
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 2-((2-(dimethylamino)ethyl)thio)-3-(4-methylphenyl)-
- IUPAC
- 2-[2-(dimethylamino)ethylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one
Names & synonyms
BRN 069686970933-79-84(3H)-Quinazolinone, 2-((2-(dimethylamino)ethyl)thio)-3-(4-methylphenyl)-DTXSID702211642-((2-(Dimethylamino)ethyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone5-25-01-00295 (Beilstein Handbook Reference)RefChem:283788DTXCID701436552-{[2-(dimethylamino)ethyl]sulfanyl}-3-(4-methylphenyl)quinazolin-4(3H)-one2-{[2-(dimethylamino)ethyl]thio}-3-(4-methylphenyl)-4(3H)-quinazolinone hydrochlorideSTL298478AKOS022110547
Database identifiers
- CAS
70933-79-8- PubChem CID
- 63266
- DTXSID
DTXSID70221164- Nikkaji
- J357.935B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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