7-Methoxy-2-methylquinoline-3-carboxylic acid ethyl ester - CAS 86210-91-5
Catalog: |
BB037853 |
Product Name: |
7-Methoxy-2-methylquinoline-3-carboxylic acid ethyl ester |
CAS: |
86210-91-5 |
Synonyms: |
ethyl 7-methoxy-2-methylquinoline-3-carboxylate |
IUPAC Name: | ethyl 7-methoxy-2-methylquinoline-3-carboxylate |
Description: | 7-Methoxy-2-methylquinoline-3-carboxylic acid ethyl ester (CAS# 86210-91-5) is a useful research chemical. |
Molecular Weight: | 245.27 |
Molecular Formula: | C14H15NO3 |
Canonical SMILES: | CCOC(=O)C1=C(N=C2C=C(C=CC2=C1)OC)C |
InChI: | InChI=1S/C14H15NO3/c1-4-18-14(16)12-7-10-5-6-11(17-3)8-13(10)15-9(12)2/h5-8H,4H2,1-3H3 |
InChI Key: | YKAUGLDGHONGMM-UHFFFAOYSA-N |
Boiling Point: | 348 °C at 760 mmHg |
Density: | 1.159 g/cm3 |
MDL: | MFCD06255166 |
LogP: | 2.72850 |
GHS Hazard Statement: | H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P354+P338, and P317 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-2566896-C | Bicyclic-substituted amines having cyclic-substituted monocyclic substituents for modulating effects of histamine-3 receptor | 20040512 |
CA-2566898-C | Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands | 20040512 |
EP-1751130-A2 | Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands | 20040512 |
EP-1751149-A1 | Bicyclic-substituted amines having cyclic-substituted monocyclic substituents | 20040512 |
EP-1751149-B1 | Bicyclic-substituted amines having cyclic-substituted monocyclic substituents | 20040512 |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.10519334 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 48.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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Quinoline/Isoquinoline
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