(1E)-1-hydrazinylidene-4,4,6,8,9-pentamethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Basic information
- CAS
524047-11-8- Standard SMILES
CC1=CC(C)(C)n2c(O)c(N=N)c3c(C)c(C)cc1c32- InChIKey
ZWLRPZFBIJHXDK-UHFFFAOYSA-N- Molecular formula
- C16H19N3O
- Average molar mass
- 269.34 g/mol
- Monoisotopic mass
- 269.15281224
Names & identifiers
- Preferred name
- (1E)-1-hydrazinylidene-4,4,6,8,9-pentamethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
- IUPAC
- 3-diazenyl-5,6,9,11,11-pentamethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaen-2-ol
Names & synonyms
(1E)-1-hydrazinylidene-4,4,6,8,9-pentamethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-oneMLS000778260524047-11-8SMR0004149351-Hydrazono-4,4,6,8,9-pentamethyl-1H,4H-pyrrolo[3,2,1-ij]quinolin-2-oneCHEMBL1328384BDBM58057cid_6878577DTXSID901321563HMS2773G15STK107260ZINC00553529
Show more names
AKOS001042558AKOS002225013AKOS030750899ST50106244Z568953151-Diazenyl-4,4,6,8,9-pentamethyl-4H-pyrrolo[3,2,1-ij]quinolin-2-ol(E)-1-hydrazono-4,4,6,8,9-pentamethyl-1H-pyrrolo[3,2,1-ij]quinolin-2(4H)-one1-hydrazinylidene-4,4,6,8,9-pentamethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Database identifiers
- CAS
524047-11-8- PubChem CID
- 950832
- DTXSID
DTXSID901321563- ChEMBL
CHEMBL1328384
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 459
Experimental & physicochemical properties
Solubility1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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