6-Chloro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride

HCID 90484166

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Basic information

CAS: 1431964-98-5
Standard SMILES: Cc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1.Cl
InChIKey: GOAHQIOTMBQKKQ-UHFFFAOYSA-N
Molecular formula: C18H18Cl2N2
Average molar mass: 333.3 g/mol
Monoisotopic mass: 332.084704

Names & identifiers

Preferred name: 6-Chloro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
IUPAC: 6-chloro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride

Names & synonyms

1431964-98-56-Chloro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride6-Chloro-1-(p-tolyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride6-chloro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride6-CHLORO-1-(4-METHYLPHENYL)-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE HYDROCHLORIDECHEMBL4749189MFCD25371050starbld0001394C18H18Cl2N2DTXSID201384643AKOS024395105ST101026

Show more names

6-chloro-1-(p-tolyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride1H-Pyrido[3,4-b]indole, 6-chloro-2,3,4,9-tetrahydro-1-(4-methylphenyl)-, hydrochloride (1:1)

Database identifiers

CAS: 1431964-98-5
PubChem CID: 90484166
DTXSID: DTXSID201384643
ChEMBL: CHEMBL4749189

Properties

Computed structural properties

Topological polar surface area: 27.8 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 366

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