3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile
Basic information
- CAS
66438-74-2- Standard SMILES
COC1C(Br)C(C)(OC)c2ccccc2N1C#N- InChIKey
GLYBQGPDICIFIK-UHFFFAOYSA-N- Molecular formula
- C13H15BrN2O2
- Average molar mass
- 311.17 g/mol
- Monoisotopic mass
- 310.03169
Names & identifiers
- Preferred name
- 3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile
- IUPAC
- 3-bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile
Names & synonyms
66438-74-2NSC3100403-bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrileDTXSID90317013NSC-310040DS-0079883-Bromo-2,4-dimethoxy-4-methyl-3,4-dihydroquinoline-1(2H)-carbonitrile1(2H)-QUINOLINECARBONITRILE,3-BROMO-3,4-DIHYDRO-2,4-DIMETHOXY-4-METHYL-
Database identifiers
- CAS
66438-74-2- PubChem CID
- 329026
- DTXSID
DTXSID90317013
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 356
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Compound notes
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