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4-[(8-methoxyquinolin-2-yl)methyl]-1-methylpiperazin-2-one

ChemBase ID: 370911
Molecular Formular: C16H19N3O2
Molecular Mass: 285.34096
Monoisotopic Mass: 285.14772686
SMILES and InChIs

SMILES:
C1(=O)N(CCN(C1)Cc1nc2c(OC)cccc2cc1)C
Canonical SMILES:
COc1cccc2c1nc(cc2)CN1CCN(C(=O)C1)C
InChI:
InChI=1S/C16H19N3O2/c1-18-8-9-19(11-15(18)20)10-13-7-6-12-4-3-5-14(21-2)16(12)17-13/h3-7H,8-11H2,1-2H3
InChIKey:
QZOMDXADXLYYCX-UHFFFAOYSA-N

Cite this record

CBID:370911 http://www.chembase.cn/molecule-370911.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(8-methoxyquinolin-2-yl)methyl]-1-methylpiperazin-2-one
IUPAC Traditional name
4-[(8-methoxyquinolin-2-yl)methyl]-1-methylpiperazin-2-one
Synonyms
4-[(8-methoxy-2-quinolinyl)methyl]-1-methyl-2-piperazinone

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 18339795 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.79337376  LogD (pH = 7.4) 0.940723 
Log P 0.94296575  Molar Refractivity 80.1942 cm3
Polarizability 32.523384 Å3 Polar Surface Area 45.67 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.26  LOG S -0.07 
Polar Surface Area 45.67 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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