(E)-8-chloro-5-(2-(3,4-dichlorophenyl)prop-1-enyl)-2,3,4,5-tetrahydro-2-methyl-1H-pyrido[4,3-b]indole

HCID 59455191
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Basic information

Standard SMILES
C/C(=C\n1c2c(c3cc(Cl)ccc31)CN(C)CC2)c1ccc(Cl)c(Cl)c1
InChIKey
RTYKZQOWZXALHI-ACCUITESSA-N
Molecular formula
C21H19Cl3N2
Average molar mass
405.7 g/mol
Monoisotopic mass
404.061382

Names & identifiers

Preferred name
(E)-8-chloro-5-(2-(3,4-dichlorophenyl)prop-1-enyl)-2,3,4,5-tetrahydro-2-methyl-1H-pyrido[4,3-b]indole
IUPAC
8-chloro-5-[(E)-2-(3,4-dichlorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

Names & synonyms

SCHEMBL2191255RTYKZQOWZXALHI-ACCUITESSA-N(E)-8-chloro-5-(2-(3,4-dichlorophenyl)prop-1-enyl)-2,3,4,5-tetrahydro-2-methyl-1H-pyrido[4,3-b]indole

Database identifiers

PubChem CID
59455191

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
8.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
26

Related reactions

2 records
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Compound notes

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