1-Chloro-7-methoxyisoquinoline-6-carbonitrile - CAS 1427393-40-5
Catalog: |
BB009417 |
Product Name: |
1-Chloro-7-methoxyisoquinoline-6-carbonitrile |
CAS: |
1427393-40-5 |
Synonyms: |
1-chloro-7-methoxy-6-isoquinolinecarbonitrile; 1-chloro-7-methoxyisoquinoline-6-carbonitrile |
IUPAC Name: | 1-chloro-7-methoxyisoquinoline-6-carbonitrile |
Description: | 1-Chloro-7-methoxyisoquinoline-6-carbonitrile (CAS# 1427393-40-5) is a useful research chemical. |
Molecular Weight: | 218.64 |
Molecular Formula: | C11H7ClN2O |
Canonical SMILES: | COC1=CC2=C(C=CN=C2Cl)C=C1C#N |
InChI: | InChI=1S/C11H7ClN2O/c1-15-10-5-9-7(4-8(10)6-13)2-3-14-11(9)12/h2-5H,1H3 |
InChI Key: | AKLXWVUWJVQCMG-UHFFFAOYSA-N |
LogP: | 2.76848 |
Publication Number | Title | Priority Date |
CN-113004284-A | Tetracyclic compounds as plasma kallikrein inhibitors and uses thereof | 20191220 |
CN-113004286-A | Tricyclic compounds as plasma kallikrein inhibitors and uses thereof | 20191220 |
WO-2021121396-A1 | Tricyclic compound that acts as plasma kallikrein inhibitor and use thereof | 20191220 |
WO-2020264490-A1 | Irak degraders and uses thereof | 20190628 |
WO-2020113233-A1 | Irak degraders and uses thereof | 20181130 |
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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