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N-{[7-methoxy-2-(thiophen-3-yl)quinolin-3-yl]methyl}cyclopentanamine

ChemBase ID: 370834
Molecular Formular: C20H22N2OS
Molecular Mass: 338.46648
Monoisotopic Mass: 338.14528433
SMILES and InChIs

SMILES:
n1c(c(cc2c1cc(cc2)OC)CNC1CCCC1)c1cscc1
Canonical SMILES:
COc1ccc2c(c1)nc(c(c2)CNC1CCCC1)c1cscc1
InChI:
InChI=1S/C20H22N2OS/c1-23-18-7-6-14-10-16(12-21-17-4-2-3-5-17)20(22-19(14)11-18)15-8-9-24-13-15/h6-11,13,17,21H,2-5,12H2,1H3
InChIKey:
ZLVPGVVEMLRJSZ-UHFFFAOYSA-N

Cite this record

CBID:370834 http://www.chembase.cn/molecule-370834.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[7-methoxy-2-(thiophen-3-yl)quinolin-3-yl]methyl}cyclopentanamine
IUPAC Traditional name
N-{[7-methoxy-2-(thiophen-3-yl)quinolin-3-yl]methyl}cyclopentanamine
Synonyms
N-{[7-methoxy-2-(3-thienyl)-3-quinolinyl]methyl}cyclopentanamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 1.4721962  LogD (pH = 7.4) 2.0290868 
Log P 4.6997976  Molar Refractivity 97.9737 cm3
Polarizability 40.994534 Å3 Polar Surface Area 34.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.63  LOG S -4.2 
Polar Surface Area 34.15 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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