N-(1-Benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine
Properties
- Molecular formula
- C19H16N2O5
- Molar mass
- 352.35 g/mol
- Exact mass
- 352.1059 Da
- logP
- 1.57Crippen estimate
- Polar surface area
- 108.6 Ų
- H-bond donors / acceptors
- 3 / 4
- Rotatable bonds
- 5
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P316, P321, P330, P405, P501
Identifiers
CAS number
931398-72-0SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)OInChIKey
CAOSCCRYLYQBES-UHFFFAOYSA-NInChI
InChI=1S/C19H16N2O5/c22-15(23)10-20-18(25)16-17(24)13-8-4-5-9-14(13)21(19(16)26)11-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)Characterization data
Calculated from the structure, in the form journals print them.
[M + H]+
[M + H]+ Calcd for C19H17N2O5 353.1132[M + Na]+
[M + Na]+ Calcd for C19H16N2NaO5 375.0951[M − H]−
[M − H]− Calcd for C19H15N2O5 351.0986Elemental analysis
Anal. Calcd for C19H16N2O5: C, 64.77; H, 4.58; N, 7.95.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 name
- Iox2
Work with N-(1-Benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine
Similar compounds
Hippuric acid495-69-244 % similar
Salicyluric acid487-54-741 % similar
N-Hippurylglycine1145-32-040 % similar
Methenamine hippurate5714-73-840 % similar
Phenylacetylglycine500-98-140 % similar
N-(Carboxymethyl)acridone38609-97-139 % similar
Benzyloxycarbonylglycine1138-80-338 % similar
N-(2-Iodobenzoyl)glycine147-58-038 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.