NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
|
|
|
IUPAC Traditional name
|
3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
|
|
|
Synonyms
|
3-(4-Methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
|
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
3.8781059
|
H Acceptors
|
4
|
H Donor
|
1
|
LogD (pH = 5.5)
|
0.6895329
|
LogD (pH = 7.4)
|
-0.90842235
|
Log P
|
2.3163476
|
Molar Refractivity
|
85.0713 cm3
|
Polarizability
|
32.42553 Å3
|
Polar Surface Area
|
66.84 Å2
|
Rotatable Bonds
|
3
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
|
IRRITANT
|
Show
data source
|
|
MSDS Link
|
|
TSCA Listed
|
false
|
Show
data source
|
|
PATENTS
PATENTS
PubChem Patent
Google Patent