1,4-Dimethyl-5-nitroisoquinoline
Basic information
- CAS
59261-38-0- Standard SMILES
Cc1ncc(C)c2c([N+](=O)[O-])cccc12- InChIKey
WTACEYGASPOAEO-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.07422757
Names & identifiers
- Preferred name
- 1,4-Dimethyl-5-nitroisoquinoline
- IUPAC
- 1,4-dimethyl-5-nitroisoquinoline
Names & synonyms
1,4-dimethyl-5-nitroisoquinoline59261-38-0MLS003115532NSC 281728NSC281728CHEMBL2141058DTXSID403142541,4-dimethyl-5-nitro-isoquinolineNSC-281728SMR001831107DS-011315ISOQUINOLINE,1,4-DIMETHYL-5-NITRO-
Database identifiers
- CAS
59261-38-0- PubChem CID
- 323006
- DTXSID
DTXSID40314254- ChEMBL
CHEMBL2141058
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
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Related reactions
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Compound notes
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