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666726-32-5 molecular structure
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6-(2-methoxyphenyl)-2,2,4-trimethyl-1,2-dihydroquinoline

ChemBase ID: 795984
Molecular Formular: C19H21NO
Molecular Mass: 279.37614
Monoisotopic Mass: 279.1623143
SMILES and InChIs

SMILES:
c1cc2c(cc1c1c(cccc1)OC)C(=CC(N2)(C)C)C
Canonical SMILES:
COc1ccccc1c1ccc2c(c1)C(=CC(N2)(C)C)C
InChI:
InChI=1S/C19H21NO/c1-13-12-19(2,3)20-17-10-9-14(11-16(13)17)15-7-5-6-8-18(15)21-4/h5-12,20H,1-4H3
InChIKey:
QRLZVPMAUWNKEO-UHFFFAOYSA-N

Cite this record

CBID:795984 http://www.chembase.cn/molecule-795984.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(2-methoxyphenyl)-2,2,4-trimethyl-1,2-dihydroquinoline
IUPAC Traditional name
6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline
Synonyms
6-(2-methoxyphenyl)-2,2,4-trimethyl-1,2-dihydroquinoline
CAS Number
666726-32-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1204 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.568974  H Acceptors
H Donor LogD (pH = 5.5) 4.286382 
LogD (pH = 7.4) 4.29318  Log P 4.2932673 
Molar Refractivity 90.0634 cm3 Polarizability 35.20767 Å3
Polar Surface Area 21.26 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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