Basic information
- CAS
827004-57-9- Standard SMILES
COc1cc2c3c(c1)C(C)CC(C)(C)N3C(=O)C2=Nc1ccccc1- InChIKey
PKSQFYHRKDWFNZ-UHFFFAOYSA-N- Molecular formula
- C21H22N2O2
- Average molar mass
- 334.4 g/mol
Names & identifiers
- Preferred name
- (1E)-8-methoxy-4,4,6-trimethyl-1-(phenylimino)-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
- IUPAC
- 6-methoxy-9,11,11-trimethyl-3-phenylimino-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
- English name
- (1E)-8-Methoxy-4,4,6-trimethyl-1-(phenylimino)-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
- Molecular formula
- C21H22N2O2
- Molecular weight
- 334.41
Names & synonyms
(1E)-8-methoxy-4,4,6-trimethyl-1-(phenylimino)-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-oneSTK203591AKOS002204118AKOS003358688AKOS016156406ST501329708-METHOXY-4,4,6-TRIMETHYL-1-(PHENYLIMINO)-5,6-DIHYDRO-4H-PYRROLO[3,2,1-IJ]QUINOLIN-2(1H)-ONETOSLAB 8655454H-Pyrrolo[3,2,1-ij]quinolin-2(1H)-one, 5,6-dihydro-8-methoxy-4,4,6-trimethyl-1-(phenylimino)-
Database identifiers
- CAS
827004-57-9
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 564
Chemistry & industry
Suppliers2 total
VITAS-BB—
TOSLAB-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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