3-(2-chloroethyl)-6,7-dimethoxyquinazoline-2,4(1H,3H)-dione
Completing data — refresh the page later to see the latest
Basic information
- CAS
110231-26-0- Standard SMILES
COc1cc2[nH]c(=O)n(CCCl)c(=O)c2cc1OC- InChIKey
WTZNVCLWQHGBDC-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O4
- Average molar mass
- 284.69 g/mol
- Monoisotopic mass
- 284.0563846
Names & identifiers
- Preferred name
- 3-(2-chloroethyl)-6,7-dimethoxyquinazoline-2,4(1H,3H)-dione
- IUPAC
- 3-(2-chloroethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione
- English name
- 3-(2-Chloroethyl)-6,7-dimethoxyquinazoline-2,4(1H,3H)-dione
- Molecular formula
- C12H13ClN2O4
- Molecular weight
- 284.7
Names & synonyms
3-(2-chloroethyl)-6,7-dimethoxyquinazoline-2,4(1H,3H)-dione110231-26-03-(2-chloroethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione3-(2-chloroethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dioneMFCD026760392,4(1H,3H)-Quinazolinedione, 3-(2-chloroethyl)-6,7-dimethoxy-ALBB-016968SBB083321AKOS005143060LS-05372CS-0335383H31834
Show more names
Vecabrutinib Impurity 93-(2-chloroethyl)-6,7-dimethoxy-1H-quinazoline-2,4-quinone
3-(2-chloroethyl)-6,7-dimethoxy-2,4(1H,3H)-quinazolinedione3-(2-chloroethyl)-6,7-dimethoxy-1,3-dihydroquinazoline-2,4-dione
Database identifiers
- CAS
110231-26-0- PubChem CID
- 4180978
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- pka
- 11.54 · 11.54±0.20(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…