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Home> Encyclopedia > Hot Product Listed 6   > 6-Quinolinamine,3-methoxy-
24209-43-6 structure

6-Quinolinamine,3-methoxy-

Iupac Name:(6R,7R)-7-amino-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS No.:24209-43-6
Molecular Weight:330.395
Molecular Formula:C11H14N2S (isomer)
Names and Identifiers
Synonyms

3-methoxyquinolin-6-amine 3-methoxy-quinolin-6-ylamine 6-quinolinamine, 3-methoxy- ACMC-20M5Y7 AKOS030558739 CTK4A1686 DTXSID80698984 Quinoline,6-amino-3-methoxy- (6CI) QYEBJNHSCBBOLH-UHFFFAOYSA-N SCHEMBL620427

Inchi
InChI=1S/C10H10N4O3S3/c11-5-7(15)14-6(9(16)17)4(1-18-8(5)14)2-19-10-13-12-3-20-10/h3,5,8H,1-2,11H2,(H,16,17)/t5-,8-/m1/s1
InChkey
OBZPELDGSNYFTD-SVGQVSJJSA-N
Canonical Smiles
C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CSC3=NN=CS3
Properties
Vapour
7.33E-19mmHg at 25°C
Refractive Index
1.795
Computational chemical data
  • Molecular Weight:330.395g/mol
  • Molecular Formula:C11H14N2S
  • Compound Is Canonicalized:True
  • XLogP3-AA:_2.7
  • Exact Mass:329.992
  • Monoisotopic Mass:329.992
  • Complexity:486
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:188A^2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:2
  • 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: AAADccBzsABgAAAAAAAAAAAAAABYAWAAAAAgAAAAAAAQAAABgAAAHgQYCAAADCjFwASECANAAgiu AgXRWAAQAQBAgBAACIGIAEACRAggACAUEAAAFgCwEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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