(E)-7-chloro-2-methyl-5-(2-(pyridin-4-yl)prop-1-enyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
C/C(=C\n1c2c(c3ccc(Cl)cc31)CN(C)CC2)c1ccncc1- InChIKey
RWKHOOKIKIHQCY-WYMLVPIESA-N- Molecular formula
- C20H20ClN3
- Average molar mass
- 337.8 g/mol
- Monoisotopic mass
- 337.1345753
Names & identifiers
- Preferred name
- (E)-7-chloro-2-methyl-5-(2-(pyridin-4-yl)prop-1-enyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
- IUPAC
- 7-chloro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
Names & synonyms
SCHEMBL3028620RWKHOOKIKIHQCY-WYMLVPIESA-N(E)-7-chloro-2-methyl-5-(2-(pyridin-4-yl)prop-1-enyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Database identifiers
- PubChem CID
- 59455243
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 21.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 474
Related reactions
2 records
Compound notes
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