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143232-64-8 molecular structure
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2-(benzyloxy)-5,6,7,8-tetrahydroquinolin-5-one

ChemBase ID: 813936
Molecular Formular: C16H15NO2
Molecular Mass: 253.2958
Monoisotopic Mass: 253.11027873
SMILES and InChIs

SMILES:
C1Cc2c(C(=O)C1)ccc(n2)OCc1ccccc1
Canonical SMILES:
O=C1CCCc2c1ccc(n2)OCc1ccccc1
InChI:
InChI=1S/C16H15NO2/c18-15-8-4-7-14-13(15)9-10-16(17-14)19-11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2
InChIKey:
VGMBEUFDLPGOMH-UHFFFAOYSA-N

Cite this record

CBID:813936 http://www.chembase.cn/molecule-813936.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(benzyloxy)-5,6,7,8-tetrahydroquinolin-5-one
IUPAC Traditional name
2-(benzyloxy)-7,8-dihydro-6H-quinolin-5-one
Synonyms
2-(benzyloxy)-7,8-dihydroquinolin-5(6H)-one
CAS Number
143232-64-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36048 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36048 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.13579  H Acceptors
H Donor LogD (pH = 5.5) 3.0986147 
LogD (pH = 7.4) 3.0986273  Log P 3.0986276 
Molar Refractivity 73.1353 cm3 Polarizability 28.230421 Å3
Polar Surface Area 39.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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