1-chloro-4-methoxyisoquinoline - CAS 3336-60-5
Catalog: |
BB021688 |
Product Name: |
1-chloro-4-methoxyisoquinoline |
CAS: |
3336-60-5 |
Synonyms: |
1-chloro-4-methoxyisoquinoline; 1-chloro-4-methoxyisoquinoline |
IUPAC Name: | 1-chloro-4-methoxyisoquinoline |
Description: | 1-chloro-4-methoxyisoquinoline (CAS# 3336-60-5) is a useful research chemical. |
Molecular Weight: | 193.63 |
Molecular Formula: | C10H8ClNO |
Canonical SMILES: | COC1=CN=C(C2=CC=CC=C21)Cl |
InChI: | InChI=1S/C10H8ClNO/c1-13-9-6-12-10(11)8-5-3-2-4-7(8)9/h2-6H,1H3 |
InChI Key: | MZWRTCSTQRDWGM-UHFFFAOYSA-N |
Boiling Point: | 333.135 °C at 760 mmHg |
Density: | 1.268 g/cm3 |
LogP: | 2.89680 |
Publication Number | Title | Priority Date |
US-2020048260-A1 | [1,2,4]triazolo[1,5-a]pyrimidine compounds as pde2 inhibitors | 20161102 |
EP-3535269-B1 | [1,2,4]triazolo[1,5-a]pyrimidine compounds as pde2 inhibitors | 20161102 |
US-11053248-B2 | [1,2,4]triazolo[1,5-a]pyrimidine compounds as PDE2 inhibitors | 20161102 |
CN-105164148-A | Hepatitis c virus inhibitors | 20130307 |
EP-2964664-A1 | Hepatitis c virus inhibitors | 20130307 |
PMID | Publication Date | Title | Journal |
16800173 | 20060301 | [Skin signs associated with epidermal growth factor inhibitors] | Annales de dermatologie et de venereologie |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.0294416 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 22.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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Quinoline/Isoquinoline
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