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Home> Hot Product Listed T   > T6749794
383392-66-3 structure

T6749794

Iupac Name:5-(phenylmethoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CAS No.:383392-66-3
Molecular Weight:348.446
Molecular Formula:C10H20N2O4S (isomer)
Names and Identifiers
Synonyms

1-(2-methyl-3-{[(1-phenyl-1h-1,2,3,4-tetrazol-5-yl)methyl]amino}phenyl)pyrrolidin-2-one MCULE-8421920037 MOLPORT-009-103-993 Z839816542 ZINC58159680

Inchi
InChI=1S/C22H24N2O2/c25-22-18(14-24-11-4-5-12-24)13-19(20-9-6-10-23-21(20)22)16-26-15-17-7-2-1-3-8-17/h1-3,6-10,13,25H,4-5,11-12,14-16H2
InChkey
LTGLGIQQZXSLLF-UHFFFAOYSA-N
Canonical Smiles
C1CCN(C1)CC2=C(C3=C(C=CC=N3)C(=C2)COCC4=CC=CC=C4)O
Computational chemical data
  • Molecular Weight:348.446g/mol
  • Molecular Formula:C10H20N2O4S
  • Compound Is Canonicalized:True
  • Exact Mass:348.184
  • Monoisotopic Mass:348.184
  • Complexity:420
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:45.6A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAACx9AAAHgAACAAADAzhngY8xvMIFgCg AzRnRASCgCAxYiAI2CA9bJgKJuLSsZuGcAhmwBHY+Aew8P4O4AADQAAaEADAAAaAADQgAAAAAAAA AA==
 
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