Basic information
- CAS
3281-77-4- Standard SMILES
CC[NH+](CC)CCOC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)c(C)c1.[Cl-]- InChIKey
RXTSKKODWDYKED-UHFFFAOYSA-N- Molecular formula
- C23H28ClN3O3
- Average molar mass
- 429.9 g/mol
- Monoisotopic mass
- 429.1819195
Names & identifiers
- Preferred name
- Benzoic acid, 3-methyl-4-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, 2-(diethylamino)ethyl ester, monohydrochloride
- IUPAC
- diethyl-[2-[3-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]oxyethyl]azanium chloride
Names & synonyms
3281-77-4Benzoic acid, 3-methyl-4-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, 2-(diethylamino)ethyl ester, monohydrochlorideRefChem:10790822-Metil-3-(4-carbossietildietilammino-6-metil-fenil)-4-chinazolone cloridrate [Italian]3-Methyl-4-(2-methyl-4-oxo-3(4H)-quinazolinyl)benzoic acid 2-(diethylamino)ethyl ester HCl2-Metil-3-(4-carbossietildietilammino-6-metil-fenil)-4-chinazolone cloridrate3-Methyl-4-(2-methyl-4-oxo-3(4H)-quinazolinyl)benzoic acid 2-(diethyla mino)ethyl ester HCl
Database identifiers
- CAS
3281-77-4- PubChem CID
- 18664
Properties
Computed structural properties
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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