6-Methoxy-4-methylquinolin-2(1H)-one - CAS 5342-23-4
Catalog: |
BB028212 |
Product Name: |
6-Methoxy-4-methylquinolin-2(1H)-one |
CAS: |
5342-23-4 |
Synonyms: |
6-methoxy-4-methyl-1H-quinolin-2-one; 6-methoxy-4-methyl-1H-quinolin-2-one |
IUPAC Name: | 6-methoxy-4-methyl-1H-quinolin-2-one |
Description: | 6-Methoxy-4-methylquinolin-2(1H)-one (CAS# 5342-23-4) is used in the synthesis of novel coumarin analogs which display nematicidal activity against five nematodes. Also used in the preparation of 4-methyl-2-oxo-1,2-dihydroquinolin-6-yl acetate which is an effective antiplatelet agent. |
Molecular Weight: | 189.21 |
Molecular Formula: | C11H11NO2 |
Canonical SMILES: | CC1=CC(=O)NC2=C1C=C(C=C2)OC |
InChI: | InChI=1S/C11H11NO2/c1-7-5-11(13)12-10-4-3-8(14-2)6-9(7)10/h3-6H,1-2H3,(H,12,13) |
InChI Key: | VGQWDNJRHAWUNX-UHFFFAOYSA-N |
Boiling Point: | 391.6 °C at 760 mmHg |
Density: | 1.153 g/cm3 |
MDL: | MFCD00760266 |
LogP: | 2.25740 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2007114323-A1 | Aminopyrrolidine compound | 20060404 |
EP-1900732-A1 | Novel nitrogenated heterocyclic compound and salt thereof | 20050624 |
EP-2468743-A1 | Nitrogen-containing bicyclic compounds useful as antibacterial agents | 20050624 |
JP-5398984-B2 | Novel nitrogen-containing heterocyclic compounds and salts thereof | 20050624 |
JP-WO2006137485-A1 | Novel nitrogen-containing heterocyclic compounds and salts thereof | 20050624 |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.078978594 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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