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64375-68-4 molecular structure
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4-(4-chloro-6-methoxy-2-methylquinolin-3-yl)butan-2-one

ChemBase ID: 311155
Molecular Formular: C15H16ClNO2
Molecular Mass: 277.74604
Monoisotopic Mass: 277.08695644
SMILES and InChIs

SMILES:
c12c(c(c(nc1ccc(c2)OC)C)CCC(=O)C)Cl
Canonical SMILES:
COc1ccc2c(c1)c(Cl)c(c(n2)C)CCC(=O)C
InChI:
InChI=1S/C15H16ClNO2/c1-9(18)4-6-12-10(2)17-14-7-5-11(19-3)8-13(14)15(12)16/h5,7-8H,4,6H2,1-3H3
InChIKey:
WFVYBTVDLFICII-UHFFFAOYSA-N

Cite this record

CBID:311155 http://www.chembase.cn/molecule-311155.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-chloro-6-methoxy-2-methylquinolin-3-yl)butan-2-one
IUPAC Traditional name
4-(4-chloro-6-methoxy-2-methylquinolin-3-yl)butan-2-one
Synonyms
4-(4-chloro-6-methoxy-2-methylquinolin-3-yl)butan-2-one
CAS Number
64375-68-4
MDL Number
MFCD00430654

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1066234  LogD (pH = 7.4) 3.1204078 
Log P 3.1205866  Molar Refractivity 75.2985 cm3
Polarizability 30.530115 Å3 Polar Surface Area 39.19 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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