6-Methoxy-3,4-dihydroisoquinolin-1(2H)-one - CAS 22246-12-4
Catalog: |
BB017472 |
Product Name: |
6-Methoxy-3,4-dihydroisoquinolin-1(2H)-one |
CAS: |
22246-12-4 |
Synonyms: |
6-methoxy-3,4-dihydro-2H-isoquinolin-1-one; 6-methoxy-3,4-dihydro-2H-isoquinolin-1-one |
IUPAC Name: | 6-methoxy-3,4-dihydro-2H-isoquinolin-1-one |
Description: | 6-Methoxy-3,4-dihydroisoquinolin-1(2H)-one (CAS# 22246-12-4) is a useful research chemical. |
Molecular Weight: | 177.20 |
Molecular Formula: | C10H11NO2 |
Canonical SMILES: | COC1=CC2=C(C=C1)C(=O)NCC2 |
InChI: | InChI=1S/C10H11NO2/c1-13-8-2-3-9-7(6-8)4-5-11-10(9)12/h2-3,6H,4-5H2,1H3,(H,11,12) |
InChI Key: | WLQWIZAWNPYMBR-UHFFFAOYSA-N |
Boiling Point: | 439.787 °C at 760 mmHg |
Density: | 1.16 g/cm3 |
Appearance: | Pale-yellow to yellow-brown solid |
MDL: | MFCD04114865 |
LogP: | 1.30990 |
Publication Number | Title | Priority Date |
WO-2021000935-A1 | Hpk1 inhibitors and uses thereof | 20190704 |
WO-2020079106-A1 | Chromen-4-one derivatives for the treatment and prophylaxis of hepatitis b virus disease | 20181019 |
CN-112839714-A | Chromen-4-one derivatives for the treatment and prevention of hepatitis B virus diseases | 20181019 |
EP-3866929-A1 | Chromen-4-one derivatives for the treatment and prophylaxis of hepatitis b virus disease | 20181019 |
WO-2020070331-A1 | Indolinone compounds for use as map4k1 inhibitors | 20181005 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.078978594 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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Quinoline/Isoquinoline
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