2-benzyl-7-methoxy-1-methylidene-4,9-dihydro-3H-pyrido[3,4-b]indole
Basic information
- CAS
77784-76-0- Standard SMILES
C=C1c2[nH]c3cc(OC)ccc3c2CCN1Cc1ccccc1- InChIKey
VRAWIKRENBKLAC-UHFFFAOYSA-N- Molecular formula
- C20H20N2O
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.15756327
Names & identifiers
- Preferred name
- 2-benzyl-7-methoxy-1-methylidene-4,9-dihydro-3H-pyrido[3,4-b]indole
- IUPAC
- 2-benzyl-7-methoxy-1-methylidene-4,9-dihydro-3H-pyrido[3,4-b]indole
Names & synonyms
77784-76-0NSC3500102-benzyl-7-methoxy-1-methylidene-4,9-dihydro-3H-pyrido[3,4-b]indoleDTXSID30319738NSC-3500102-Benzyl-7-methoxy-1-methylidene-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Database identifiers
- CAS
77784-76-0- PubChem CID
- 336308
- DTXSID
DTXSID30319738
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 28.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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