Aurantiomide C
Basic information
- CAS
915190-86-2- Standard SMILES
CC(C)/C=C1\NC(=O)[C@H](CCC(N)=O)n2c1nc1ccccc1c2=O- InChIKey
UKYRPVOCKVERNT-XXYUJHKVSA-N- Molecular formula
- C18H20N4O3
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.15354051
Overview
Aurantiomide C is a member of quinazolines.
Names & identifiers
- Preferred name
- Aurantiomide C
- IUPAC
- 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanamide
Names & synonyms
aurantiomide CDTXSID401045596915190-86-23-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanamide3-((1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino(2,1-b)quinazolin-4-yl)propanamideRefChem:115594DTXCID201527520CHEMBL227844CHEBI:197837
Database identifiers
- CAS
915190-86-2- PubChem CID
- 16680722
- DTXSID
DTXSID401045596- ChEMBL
CHEMBL227844- ChEBI
CHEBI:197837- Nikkaji
- J2.636.122B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 653
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…