(E)-8-chloro-2-methyl-5-(2-(pyrimidin-4-yl)prop-1-enyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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Basic information
- Standard SMILES
C/C(=C\n1c2c(c3cc(Cl)ccc31)CN(C)CC2)c1ccncn1- InChIKey
QWWSQAZRLKDFLY-JLHYYAGUSA-N- Molecular formula
- C19H19ClN4
- Average molar mass
- 338.8 g/mol
Names & identifiers
- Preferred name
- (E)-8-chloro-2-methyl-5-(2-(pyrimidin-4-yl)prop-1-enyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
- IUPAC
- 8-chloro-2-methyl-5-[(E)-2-pyrimidin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
Names & synonyms
SCHEMBL3039783QWWSQAZRLKDFLY-JLHYYAGUSA-N(E)-8-chloro-2-methyl-5-(2-(pyrimidin-4-yl)prop-1-enyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Database identifiers
- PubChem CID
- 46199891
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 482
Related reactions
2 records
Compound notes
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