8-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propoxy)-1-nicotinoyl-1,2,3,4-tetrahydroquinoline-trihydrochloride

HCID 20034517
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Basic information

Standard SMILES
COc1ccccc1N1CCN(CCCOc2cccc3c2N(C(=O)c2cccnc2)CCC3)CC1.Cl.Cl.Cl
InChIKey
NESLPCCSTHVEPD-UHFFFAOYSA-N
Molecular formula
C29H37Cl3N4O3
Average molar mass
596 g/mol
Monoisotopic mass
594.193124

Names & identifiers

Preferred name
8-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propoxy)-1-nicotinoyl-1,2,3,4-tetrahydroquinoline-trihydrochloride
IUPAC
[8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone;trihydrochloride

Names & synonyms

SCHEMBL10568635NESLPCCSTHVEPD-UHFFFAOYSA-N8-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propoxy)-1-nicotinoyl-1,2,3,4-tetrahydroquinoline-trihydrochloride

Database identifiers

PubChem CID
20034517

Properties

Computed structural properties

Topological polar surface area
58.1 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
39

Related reactions

1 records
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Compound notes

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