Basic information
- CAS
133401-03-3- Standard SMILES
Cn1cc2c3c1C(=O)C(N)=C(Cl)C3=NCC2- InChIKey
QNUUYJZICNRMSA-UHFFFAOYSA-N- Molecular formula
- C11H10ClN3O
- Average molar mass
- 235.67 g/mol
- Monoisotopic mass
- 235.0512396
Overview
Isobatzelline C has been reported in Zyzzya fuliginosa and Batzella with data available.
Names & identifiers
- Preferred name
- Isobatzelline C
- IUPAC
- 10-amino-9-chloro-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one
Names & synonyms
Isobatzelline C133401-03-3DTXSID50158101Pyrrolo(4,3,2-de)quinolin-8(1H)-one, 7-amino-6-chloro-3,4-dihydro-1-methyl-NSC 700007Pyrrolo[4,3,2-de]quinolin-8(1H)-one, 7-amino-6-chloro-3,4-dihydro-1-methyl-10-amino-9-chloro-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one10-amino-9-chloro-2-methyl-2,7-diazatricyclo(6.3.1.04,12)dodeca-1(12),3,7,9-tetraen-11-oneRefChem:149038DTXCID9080592NSC700007CHEMBL447517
Show more names
SCHEMBL29519851NSC-700007Pyrrolo[4,2-de]quinolin-8(1H)-one, 7-amino-6-chloro-3,4-dihydro-1-7-Amino-6-chloro-1-methyl-3,4-dihydropyrrolo[4,3,2-de]quinolin-8(1H)-one
Database identifiers
- CAS
133401-03-3- PubChem CID
- 3756
- DTXSID
DTXSID50158101- ChEMBL
CHEMBL447517- Nikkaji
- J331.888E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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