3-allyl-1H-quinazoline-2,4-dione
Basic information
- CAS
10341-86-3- Standard SMILES
C=CCn1c(=O)[nH]c2ccccc2c1=O- InChIKey
AYSVFDMLKFSVNX-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.07422757
Names & identifiers
- Preferred name
- 3-allyl-1H-quinazoline-2,4-dione
- IUPAC
- 3-prop-2-enyl-1H-quinazoline-2,4-dione
- English name
- 3-Allylquinazoline-2,4(1H,3H)-dione
- Molecular formula
- C11H10N2O2
- Molecular weight
- 202.21
Names & synonyms
10341-86-33-allyl-1H-quinazoline-2,4-dioneDTXSID60345429RefChem:276262DTXCID002965023-allylquinazoline-2,4(1H,3H)-dione3-prop-2-enyl-1H-quinazoline-2,4-dione3-(prop-2-en-1-yl)quinazoline-2,4(1H,3H)-dioneMFCD147033023-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-2,4-dione3-allyl-2,4(1H,3H)-quinazolinedioneSCHEMBL1260406
Show more names
2,4(1H,3H)-Quinazolinedione, 3-(2-propen-1-yl)-
AYSVFDMLKFSVNX-UHFFFAOYSA-NHMS3436E12STL102622AKOS005716902BS-32023-Allyl-2-hydroxy-4(3H)-quinazolinone #DB-217905CS-0440266
Database identifiers
- CAS
10341-86-3- PubChem CID
- 604456
- DTXSID
DTXSID60345429- Nikkaji
- J2.389.253G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Melting point
- 184 · 184-185 °C
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 12.85 · 12.85±0.20(Predicted)
- HS Code
- 2933599590 · 2933599590
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
- hs_code
- 2933599590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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