chempirical

Fg 4592

C19H16N2O5CAS 808118-40-3352.35 g/mol

Open in Covalent MOL file
NONHOOHOHO
AmideCarboxylic acidEtherPhenol

Properties

Molecular formula
C19H16N2O5
Molar mass
352.35 g/mol
Exact mass
352.1059 Da
logP
2.86Crippen estimate
Polar surface area
108.8 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
5

Identifiers

CAS number
808118-40-3
SMILES
Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12
InChIKey
YOZBGTLTNGAVFU-UHFFFAOYSA-N
InChI
InChI=1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)

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Names and synonyms

7 names
  • Glycine, N-[(4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl]-
  • N-[(4-Hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl]glycine
  • [[(4-Hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)carbonyl]amino]acetic acid
  • ASP 1517
  • Roxadustat
  • (4-Hydroxy-1-methyl-7-phenoxyisoquinoline-3-carbonyl)glycine
  • [(4-Hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)carbonyl]glycine

Work with Fg 4592

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinecarboxylate1421312-34-662 % similar N-Hippurylglycine1145-32-038 % similar P-Methylhippuric acid27115-50-037 % similar 3-Hydroxy-2-methyl-4-quinolinecarboxylic acid117-57-732 % similar P-Aminohippuric acid61-78-932 % similar 4-Nitrohippuric acid2645-07-032 % similar 2-(3-Methylphenoxy)acetic acid1643-15-832 % similar 3-Phenoxybenzoic acid3739-38-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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