Basic information
- CAS
80109-76-8- Standard SMILES
COC(=O)C1=C(C(=O)OC)N2c3ccccc3-n3c(-c4ccccc4)cc(OC)c3C2(C)C(C(=O)OC)=C1C(=O)OC- InChIKey
LSBIADMGSQPZHR-UHFFFAOYSA-N- Molecular formula
- C31H28N2O9
- Average molar mass
- 572.6 g/mol
- Monoisotopic mass
- 572.17948047
Names & identifiers
- Preferred name
- Tetramethyl 1-methoxy-13a-methyl-3-phenyl-13aH-pyrido(1,2-a)pyrrolo(2,1-c)quinoxaline-10,11,12,13-tetracarboxylate
- IUPAC
- tetramethyl 5-methoxy-7-methyl-3-phenyl-2,12-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,8,10,13,15-heptaene-8,9,10,11-tetracarboxylate
Names & synonyms
NSC35408280109-76-8NSC 354082Tetramethyl 1-methoxy-13a-methyl-3-phenyl-13aH-pyrido(1,2-a)pyrrolo(2,1-c)quinoxaline-10,11,12,13-tetracarboxylateTetramethyl 1-methoxy-13a-methyl-3-phenyl-13aH-pyrido[1,2-a]pyrrolo[2,1-c]quinoxaline-10,11,12,13-tetracarboxylateNSC-354082tetramethyl methoxy-methyl-phenyl-[?]tetracarboxylate
Database identifiers
- CAS
80109-76-8- PubChem CID
- 337136
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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