N-(4-Chlorobenzyl)-6-{[(2-hydroxy-2-phenylethyl)(methyl)-amino]methyl}-1-methyl-4-oxo-1,4-dihydro-3quinolinecarboxamide

HCID 21192531
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Basic information

Standard SMILES
CN(Cc1ccc2c(c1)c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2C)CC(O)c1ccccc1
InChIKey
VTDAHGYPQMUEJV-UHFFFAOYSA-N
Molecular formula
C28H28ClN3O3
Average molar mass
490 g/mol
Monoisotopic mass
489.1819195

Names & identifiers

Preferred name
N-(4-Chlorobenzyl)-6-{[(2-hydroxy-2-phenylethyl)(methyl)-amino]methyl}-1-methyl-4-oxo-1,4-dihydro-3quinolinecarboxamide
IUPAC
N-[(4-chlorophenyl)methyl]-6-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-1-methyl-4-oxoquinoline-3-carboxamide

Names & synonyms

SCHEMBL6698592VTDAHGYPQMUEJV-UHFFFAOYSA-NN-(4-Chlorobenzyl)-6-{[(2-hydroxy-2-phenylethyl)(methyl)-amino]methyl}-1-methyl-4-oxo-1,4-dihydro-3quinolinecarboxamide

Database identifiers

PubChem CID
21192531

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
72.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
35

Related reactions

2 records
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Compound notes

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