Methyl 4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinecarboxylate
Properties
- Molecular formula
- C18H15NO4
- Molar mass
- 309.32 g/mol
- Exact mass
- 309.1001 Da
- logP
- 3.83Crippen estimate
- Polar surface area
- 68.7 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1421312-34-6SMILES
COC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1OInChIKey
WJGPMRFWBJZJOQ-UHFFFAOYSA-NInChI
InChI=1S/C18H15NO4/c1-11-15-10-13(23-12-6-4-3-5-7-12)8-9-14(15)17(20)16(19-11)18(21)22-2/h3-10,20H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3-Isoquinolinecarboxylic acid, 4-hydroxy-1-methyl-7-phenoxy-, methyl ester
Work with Methyl 4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinecarboxylate
Similar compounds
Methyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate1455091-10-765 % similar
FG 4592808118-40-362 % similar
Dimethyl Quinoline-2,3-dicarboxylate17507-03-837 % similar
Methyl o-cresotinate23287-26-536 % similar
Methyl 3-Hydroxy-2-pyridinecarboxylate62733-99-736 % similar
Phenyl 1,4-dihydroxy-2-naphthalenecarboxylate54978-55-136 % similar
Methyl 1,6-dihydro-5-hydroxy-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylate519032-08-736 % similar
Methyl 1H-indazole-3-carboxylate43120-28-136 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.