Nequinate
Properties
- Molecular formula
- C22H23NO4
- Molar mass
- 365.43 g/mol
- Exact mass
- 365.1627 Da
- Melting point
- 287.5 °C
- logP
- 4.24Crippen estimate
- Polar surface area
- 68.4 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 7
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H413 May cause long lasting harmful effects to aquatic life100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P273, P301+P317, P330, P501
Identifiers
CAS number
13997-19-8SMILES
CCCCc1cc2c(=O)c(C(=O)OC)c[nH]c2cc1OCc1ccccc1InChIKey
NNOPDLNHPOLRRE-UHFFFAOYSA-NInChI
InChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
14 names · show all
- 3-Quinolinecarboxylic acid, 6-butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-, methyl ester
- 3-Quinolinecarboxylic acid, 7-(benzyloxy)-6-butyl-1,4-dihydro-4-oxo-, methyl ester
- Methyl benzoquate
- Methyl 7-(benzyloxy)-6-n-butyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
- Neqoinate
- Methyl 7-(benzyloxy)-6-butyl-1,4-dihydro-4-oxo-3-quinoline carboxylate
- Mequinate
- AY 20385
- ICI 55052
- Statoquate
- Statyl
- Tranil
- Statil
- 7-Benzyloxy-6-butyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid methyl ester
Work with Nequinate
Similar compounds
Decoquinate18507-89-648 % similar
Dimethyl 3-(benzyloxy)-4-oxo-4H-pyran-2,5-1246616-66-946 % similar
Methyl indole-3-carboxylate942-24-541 % similar
4-Hydroxyquinoline-3-carboxylic acid ethyl ester26892-90-041 % similar
Methyl 3,5-bis(benzyloxy)benzoate58605-10-040 % similar
7-(Benzyloxy)-6-methoxyquinolin-4-ol205448-29-939 % similar
Methyl 4-benzyloxybenzoate32122-11-538 % similar
Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate122794-99-438 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds