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120686-09-1 molecular structure
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2-methoxy-5,6,7,8-tetrahydroquinolin-6-one

ChemBase ID: 802446
Molecular Formular: C10H11NO2
Molecular Mass: 177.19984
Monoisotopic Mass: 177.0789786
SMILES and InChIs

SMILES:
C1Cc2c(CC1=O)ccc(n2)OC
Canonical SMILES:
COc1ccc2c(n1)CCC(=O)C2
InChI:
InChI=1S/C10H11NO2/c1-13-10-5-2-7-6-8(12)3-4-9(7)11-10/h2,5H,3-4,6H2,1H3
InChIKey:
DDCJSQCTECOTCH-UHFFFAOYSA-N

Cite this record

CBID:802446 http://www.chembase.cn/molecule-802446.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxy-5,6,7,8-tetrahydroquinolin-6-one
IUPAC Traditional name
2-methoxy-7,8-dihydro-5H-quinolin-6-one
Synonyms
7,8-DIHYDRO-2-METHOXY-6(5H)-QUINOLINONE
CAS Number
120686-09-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18926 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18926 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.053068  H Acceptors
H Donor LogD (pH = 5.5) 1.3391206 
LogD (pH = 7.4) 1.3393096  Log P 1.3393121 
Molar Refractivity 48.3776 cm3 Polarizability 18.661322 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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