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50333-13-6 molecular structure
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2,2,6-trimethyl-2H,5H,6H-pyrano[3,2-c]quinolin-5-one

ChemBase ID: 306269
Molecular Formular: C15H15NO2
Molecular Mass: 241.2851
Monoisotopic Mass: 241.11027873
SMILES and InChIs

SMILES:
c1ccc2c(c1)c1c(c(=O)n2C)C=CC(O1)(C)C
Canonical SMILES:
Cn1c(=O)c2C=CC(Oc2c2c1cccc2)(C)C
InChI:
InChI=1S/C15H15NO2/c1-15(2)9-8-11-13(18-15)10-6-4-5-7-12(10)16(3)14(11)17/h4-9H,1-3H3
InChIKey:
RJZFGBNKPOVCHQ-UHFFFAOYSA-N

Cite this record

CBID:306269 http://www.chembase.cn/molecule-306269.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,6-trimethyl-2H,5H,6H-pyrano[3,2-c]quinolin-5-one
IUPAC Traditional name
N-methylflindersine
Synonyms
N-Methylflindersine
CAS Number
50333-13-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP03066
Data Source Data ID Price
BioBioPha
BBP03066 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6782125  LogD (pH = 7.4) 1.6782126 
Log P 1.6782126  Molar Refractivity 72.2847 cm3
Polarizability 26.912504 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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