2-[[2-(1-Ethyl-2,4-dioxoquinazolin-3-yl)acetyl]amino]ethyl-dimethylazanium
Basic information
- CAS
6723-25-7- Standard SMILES
CCn1c(=O)n(CC(=O)NCC[NH+](C)C)c(=O)c2ccccc21- InChIKey
CTDUZKRNBIUBQY-UHFFFAOYSA-O- Molecular formula
- C16H23N4O3+
- Average molar mass
- 319.38 g/mol
- Monoisotopic mass
- 319.17701561
Names & identifiers
- Preferred name
- 2-[[2-(1-Ethyl-2,4-dioxoquinazolin-3-yl)acetyl]amino]ethyl-dimethylazanium
- IUPAC
- 2-[[2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetyl]amino]ethyl-dimethylazanium
Names & synonyms
6723-25-7AC1NPMGNDTXSID004098972-[2-(1-Ethyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamido]-N,N-dimethylethan-1-aminium
Database identifiers
- CAS
6723-25-7- PubChem CID
- 5206497
- DTXSID
DTXSID00409897
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 466
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Compound notes
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