Basic information
- CAS
1052723-27-9- Standard SMILES
CC(C)(C)OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O- InChIKey
QBHYFUOPAJPPMX-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.111007
Names & identifiers
- Preferred name
- Tert-butyl 2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-YL)acetate
- IUPAC
- tert-butyl 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate
- English name
- tert-butyl 2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)acetate
- Molecular formula
- C14H16N2O4
- Molecular weight
- 276.29
Names & synonyms
1052723-27-9tert-butyl 2-(2,4-dioxo-1H-quinazolin-3-yl)acetateTERT-BUTYL 2-(2,4-DIOXO-1,2-DIHYDROQUINAZOLIN-3(4H)-YL)ACETATE3(2H)-Quinazolineacetic acid, 1,4-dihydro-2,4-dioxo-, 1,1-dimethylethyl ester3(2H)-Quinazolineaceticacid, 1,4-dihydro-2,4-dioxo-, 1,1-dimethylethyl estertert-butyl 2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetateSCHEMBL3311829DTXSID30700566QBHYFUOPAJPPMX-UHFFFAOYSA-N(2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl)-acetic acid tert-butyl esterDB-059321EN300-22915575
Show more names
tert-Butyl (2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetate(2,4-Dioxo-1,4-dihydro-2H-quinazolin-3-yl)-acetic acid tert butyl ester
Database identifiers
- CAS
1052723-27-9- PubChem CID
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
- pka
- 12.37 · 12.37±0.20(Predicted)
Chemistry & industry
Suppliers3 total
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Related reactions
2 records
Compound notes
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