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3-{[ethyl({[2-(prop-2-en-1-yloxy)phenyl]methyl})amino]methyl}-1-methyl-1,2-dihydroquinolin-2-one

ChemBase ID: 370851
Molecular Formular: C23H26N2O2
Molecular Mass: 362.46474
Monoisotopic Mass: 362.19942808
SMILES and InChIs

SMILES:
c1(c(=O)n(c2c(c1)cccc2)C)CN(Cc1c(OCC=C)cccc1)CC
Canonical SMILES:
C=CCOc1ccccc1CN(Cc1cc2ccccc2n(c1=O)C)CC
InChI:
InChI=1S/C23H26N2O2/c1-4-14-27-22-13-9-7-11-19(22)16-25(5-2)17-20-15-18-10-6-8-12-21(18)24(3)23(20)26/h4,6-13,15H,1,5,14,16-17H2,2-3H3
InChIKey:
TUTMEJIXBXQNPK-UHFFFAOYSA-N

Cite this record

CBID:370851 http://www.chembase.cn/molecule-370851.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-{[ethyl({[2-(prop-2-en-1-yloxy)phenyl]methyl})amino]methyl}-1-methyl-1,2-dihydroquinolin-2-one
IUPAC Traditional name
3-{[ethyl({[2-(prop-2-en-1-yloxy)phenyl]methyl})amino]methyl}-1-methylquinolin-2-one
Synonyms
3-{[[2-(allyloxy)benzyl](ethyl)amino]methyl}-1-methylquinolin-2(1H)-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.5776695  LogD (pH = 7.4) 3.3261976 
Log P 3.9395938  Molar Refractivity 111.2408 cm3
Polarizability 42.46765 Å3 Polar Surface Area 32.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.12  LOG S -5.36 
Polar Surface Area 34.47 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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