6,7-dimethoxy-3-(3-morpholinopropyl)-2-(propylsulfanyl)-4(3H)-quinazolinimine
Completing data — refresh the page later to see the latest
Basic information
- CAS
383147-28-2- Standard SMILES
CCCSc1nc2cc(OC)c(OC)cc2c(=N)n1CCCN1CCOCC1- InChIKey
BISWIAQUGOELCK-UHFFFAOYSA-N- Molecular formula
- C20H30N4O3S
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.20386201
Names & identifiers
- Preferred name
- 6,7-dimethoxy-3-(3-morpholinopropyl)-2-(propylsulfanyl)-4(3H)-quinazolinimine
- IUPAC
- 6,7-dimethoxy-3-(3-morpholin-4-ylpropyl)-2-propylsulfanylquinazolin-4-imine
- English name
- 6,7-DIMETHOXY-3-(3-MORPHOLINOPROPYL)-2-(PROPYLSULFANYL)-4(3H)-QUINAZOLINIMINE
- Molecular formula
- C20H30N4O3S
- Molecular weight
- 406.54
Names & synonyms
383147-28-26,7-dimethoxy-3-(3-morpholinopropyl)-2-(propylsulfanyl)-4(3H)-quinazolinimine6,7-dimethoxy-3-(3-morpholin-4-ylpropyl)-2-propylsulfanylquinazolin-4-imine6,7-dimethoxy-3-[3-(morpholin-4-yl)propyl]-2-(propylsulfanyl)-3,4-dihydroquinazolin-4-imineOprea1_121126MLS000720506CHEMBL1387321REGID_for_CID_3714917HMS2715O22AKOS005081414SMR00033600912R-0288
Show more names
4(3H)-Quinazolinimine, 6,7-dimethoxy-3-[3-(4-morpholinyl)propyl]-2-(propylthio)-
6,7-Dimethoxy-3-(3-morpholinopropyl)-2-(propylthio)quinazolin-4(3H)-imine
Database identifiers
- CAS
383147-28-2- PubChem CID
- 3714917
- ChEMBL
CHEMBL1387321
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 542
Physicochemical properties
- Boiling point
- 560.3 · 560.3±60.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 7.11 · 7.11±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…