Ethyl 4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxylate
Basic information
- CAS
198705-41-8- Standard SMILES
CCOC(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2- InChIKey
LCNLCXYJICQLRG-UHFFFAOYSA-N- Molecular formula
- C15H19N3O3
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.14264148
Names & identifiers
- Preferred name
- Ethyl 4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxylate
- IUPAC
- ethyl 4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxylate
- English name
- Ethyl 3′,4′-dihydro-4′-oxospiro[piperidine-4,2′(1′H)-quinazoline]-1-carboxylate
- Molecular formula
- C15H19N3O3
- Molecular weight
- 289.33
Names & synonyms
MLS002920561SMR001798150ethyl 4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxylateNSC142488cid_285503CHEMBL2137306BDBM100169AKOS024333605NSC-142488ethyl 4'-oxo-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazoline]-1-carboxylateST50547519ethyl 4-oxospiro[1,3-dihydroquinazoline-2,4''-piperidine]-1''-carboxylate
Show more names
Ethyl 3′,4′-dihydro-4′-oxospiro[piperidine-4,2′(1′H)-quinazoline]-1-carboxylate
4-ketospiro[1,3-dihydroquinazoline-2,4''-piperidine]-1''-carboxylic acid ethyl ester4-oxo-1''-spiro[1,3-dihydroquinazoline-2,4''-piperidine]carboxylic acid ethyl esterETHYL 3,4-BENZO-2-OXO-1,5,9-TRIAZASPIRO(5.5)UNDEC-3-ENE-9-CARBOXYLATEethyl 4-oxidanylidenespiro[1,3-dihydroquinazoline-2,4''-piperidine]-1''-carboxylate
Database identifiers
- CAS
198705-41-8- PubChem CID
- 285503
- ChEMBL
CHEMBL2137306- EC Number
- 105-494-2
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 418
Physicochemical properties
- Boiling point
- 551 · 551.0±50.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- pka
- 15.36 · 15.36±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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