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

HCID 212899

Notes Reactions

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Basic information

CAS: 25378-52-3
Standard SMILES: Cc1ccc(CCn2c3c(c4ccccc42)CN(Cc2ccccc2)CC3)cn1.Cl
InChIKey: XMSLURGZAGLDDK-UHFFFAOYSA-N
Molecular formula: C26H28ClN3
Average molar mass: 418 g/mol
Monoisotopic mass: 417.1971756

Names & identifiers

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

Names & synonyms

25378-52-31H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-benzyl-5-(2-(6-methyl-3-pyridyl)ethyl)-, hydrochloride2,3,4,5-Tetrahydro-2-benzyl-5-(2-(6-methyl-3-pyridyl)ethyl)-1H-pyrido(4,3-b)indole HClDTXSID50180023RefChem:240257DTXCID601025142-Benzyl-5-[2-(6-methylpyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole--hydrogen chloride (1/1)

Database identifiers

CAS: 25378-52-3
PubChem CID: 212899
DTXSID: DTXSID50180023

Properties

Computed structural properties

Topological polar surface area: 21.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 30
Formal charge: 0
Complexity: 516

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