1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-ethyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-

HCID 212929

Basic information

CAS
102207-58-9
Standard SMILES
CCN1CCc2c(c3cc(C)ccc3n2CCc2ccc(C)nc2)C1
InChIKey
ISWGLGLPSQCQIO-UHFFFAOYSA-N
Molecular formula
C22H27N3
Average molar mass
333.5 g/mol
Monoisotopic mass
333.22049787

Names & identifiers

Preferred name
1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-ethyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-
IUPAC
2-ethyl-8-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

Names & synonyms

EmelineEmelin1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-ethyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-2,3,4,5-Tetrahydro-2-ethyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-1H-pyrido(4,3-b)indoleDTXSID90144785RefChem:240265DTXCID4067276102207-58-9SCHEMBL3715001ISWGLGLPSQCQIO-UHFFFAOYSA-N2-ethyl-8-methyl-5-[2-(6-methylpyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole2-ethyl-2,3,4,5-tetrahydro-8-methyl-5-(2-(6-methylpyridin-3-yl)ethyl)-1H-pyrido[4,3-b]indole

Database identifiers

CAS
102207-58-9
PubChem CID
212929
DTXSID
DTXSID90144785
Nikkaji
J85.832C

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
21.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
25

Related reactions

6 records

Compound notes

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