1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 4,4a,5,6-tetrahydro-1-oxo-, ethyl ester
Basic information
- CAS
63658-84-4- Standard SMILES
CCOC(=O)C1=CNC2CCc3ccccc3N2C1=O- InChIKey
SMLHOYYNUFCDHK-UHFFFAOYSA-N- Molecular formula
- C15H16N2O3
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.11609238
Names & identifiers
- Preferred name
- 1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 4,4a,5,6-tetrahydro-1-oxo-, ethyl ester
- IUPAC
- ethyl 1-oxo-4,4a,5,6-tetrahydropyrimido[1,2-a]quinoline-2-carboxylate
- English name
- 1-Oxo-4,4a,5,6-tetrahydro-1H-pyrimido[1,2-a]quinoline-2-carboxylic acid ethyl ester
- Molecular formula
- C15H16N2O3
- Molecular weight
- 272.3
Names & synonyms
63658-84-41-Oxo-4,4a,5,6-tetrahydro-1H-pyrimido[1,2-a]quinoline-2-carboxylic acid ethyl ester1-OXO-4,4A,5,6-TETRAHYDRO-1H-PYRIMIDO(1,2-A)QUINOLINE-2-CARBOXYLIC ACID ETHYL ESTER1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 4,4a,5,6-tetrahydro-1-oxo-, ethyl esterSMLHOYYNUFCDHK-UHFFFAOYSA-NDTXSID3013469553-carboethoxy-1,10,11,11a-tetrahydro-4H-pyrimido[1,2-a]quinolin-4-oneDB-312287Ethyl 1-oxo-4,4a,5,6-tetrahydro-1H-pyrimido[1,2-a]quinoline-2-carboxylateEthyl 1-oxo-4,4a,5,6-tetrahydro-1H-pyrimido[1,2-a]quinoline-2-carboxylate #4,4a,5,6-Tetrahydro-1-oxo-1H-pyrimido[1,2-a]quinoline-2-carboxylic acid ethyl ester
Database identifiers
- CAS
63658-84-4- PubChem CID
- 583204
- DTXSID
DTXSID301346955- Nikkaji
- J45.215G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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