N-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide | SBID = 53 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge:
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C20H24N2O6
M / g/mol: 388.42
Complexity:
Number of Conformers:

Identifiers

  • Tags: dye
  • Name: N-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide
  • Preferred Abbreviation: N-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide
  • IUPAC Name: N-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide
  • CAS:
  • CID: -5
  • InChiKey: UOHNCRRPJVDPEK-UHFFFAOYSA-N
  • InChi: InChI=1S/C20H24N2O6/c23-9-20(10-24,11-25)21-18(26)15-8-13-7-12-3-1-5-22-6-2-4-14(16(12)22)17(13)28-19(15)27/h7-8,23-25H,1-6,9-11H2,(H,21,26)
  • CanoSmiles: O=C1OC2=C3C4=C(CCCN4CCC3)C=C2C=C1C(NC(CO)(CO)CO)=O
  • IsoSmiles: O=C(C(C(O1)=O)=CC2=C1C3=C(N4CCC3)C(CCC4)=C2)NC(CO)(CO)CO