2-Chloro-7-methoxyquinoline-3-carbonitrile - CAS 128259-63-2
Catalog: |
BB006890 |
Product Name: |
2-Chloro-7-methoxyquinoline-3-carbonitrile |
CAS: |
128259-63-2 |
Synonyms: |
2-chloro-7-methoxyquinoline-3-carbonitrile |
IUPAC Name: | 2-chloro-7-methoxyquinoline-3-carbonitrile |
Description: | 2-Chloro-7-methoxyquinoline-3-carbonitrile (CAS# 128259-63-2) is a useful research chemical. |
Molecular Weight: | 218.64 |
Molecular Formula: | C11H7ClN2O |
Canonical SMILES: | COC1=CC2=C(C=C1)C=C(C(=N2)Cl)C#N |
InChI: | InChI=1S/C11H7ClN2O/c1-15-9-3-2-7-4-8(6-13)11(12)14-10(7)5-9/h2-5H,1H3 |
InChI Key: | UTLRIOWIEJHVQJ-UHFFFAOYSA-N |
Boiling Point: | 396.5 °C at 760 mmHg |
Density: | 1.36 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD02232018 |
LogP: | 2.76848 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
HU-0300547-A2 | The use of cyanoquinoline compounds for the manufacture of a medicament for the treatment and inhibition of colon polyps | 20000313 |
KR-20020092987-A | Use of cyanoquinolines for treating or inhibiting colonic polyps | 20000313 |
US-6002008-A | Substituted 3-cyano quinolines | 19970403 |
US-4920128-A | Pyrazolo[3,4-b]quinolines and their use as antiviral agents | 19870708 |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.0246905 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.0246905 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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Quinoline/Isoquinoline
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