N-{(2R)-3-[4-(3,4-Dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

HCID 9870185

Notes Reactions

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Basic information

Standard SMILES: O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccccc12
InChIKey: YSQQOGOBORIIMG-OAHLLOKOSA-N
Molecular formula: C24H25Cl2N3O4
Average molar mass: 490.4 g/mol
Monoisotopic mass: 489.1222117

Names & identifiers

Preferred name: N-{(2R)-3-[4-(3,4-Dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
IUPAC: N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1-oxo-2H-isoquinoline-4-carboxamide

Names & synonyms

CHEMBL2207666SCHEMBL2923421YSQQOGOBORIIMG-OAHLLOKOSA-NBDBM50402136N-{(2R)-3-[4-(3,4-Dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

Database identifiers

PubChem CID: 9870185
ChEMBL: CHEMBL2207666

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 90.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 33
Formal charge: 0
Complexity: 728

Related reactions

1 records

New reaction record

HRID 2233406As productuspto-grants-2010_05

Compound notes

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