[6-(3-Chloro-4-hydroxy-5-methoxyphenyl)-4-{4-[1-(dimethylamino)ethyl]piperidin-1-yl}quinolin-3-yl](cyclopropyl)methanone

HCID 68091925

Notes Reactions

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Basic information

Standard SMILES: COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC(C(C)N(C)C)CC4)c3c2)cc(Cl)c1O
InChIKey: GOXWPHHXBRESDW-UHFFFAOYSA-N
Molecular formula: C29H34ClN3O3
Average molar mass: 508 g/mol

Names & identifiers

Preferred name: [6-(3-Chloro-4-hydroxy-5-methoxyphenyl)-4-{4-[1-(dimethylamino)ethyl]piperidin-1-yl}quinolin-3-yl](cyclopropyl)methanone
IUPAC: [6-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]quinolin-3-yl]-cyclopropylmethanone

Names & synonyms

CHEMBL3674186SCHEMBL10281958GOXWPHHXBRESDW-UHFFFAOYSA-NBDBM176884US9120749, 250[6-(3-Chloro-4-hydroxy-5-methoxyphenyl)-4-{4-[1-(dimethylamino)ethyl]piperidin-1-yl}quinolin-3-yl](cyclopropyl)methanone

Database identifiers

PubChem CID: 68091925
ChEMBL: CHEMBL3674186

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 65.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 36
Formal charge: 0
Complexity: 756

Related reactions

1 records

New reaction record

HRID 2271730As productuspto-grants-2015_09

Compound notes

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