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4-[3-(3-ethenylpiperidin-4-yl)propyl]-6-methoxyquinoline
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ChemBase ID:
130155
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Molecular Formular:
C20H26N2O
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Molecular Mass:
310.43324
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Monoisotopic Mass:
310.20451346
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SMILES and InChIs
SMILES:
C=CC1CNCCC1CCCc1c2cc(OC)ccc2ncc1
Canonical SMILES:
C=CC1CNCCC1CCCc1ccnc2c1cc(OC)cc2
InChI:
InChI=1S/C20H26N2O/c1-3-15-14-21-11-9-16(15)5-4-6-17-10-12-22-20-8-7-18(23-2)13-19(17)20/h3,7-8,10,12-13,15-16,21H,1,4-6,9,11,14H2,2H3
InChIKey:
XFXANHWIBFMEOY-UHFFFAOYSA-N
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Cite this record
CBID:130155 http://www.chembase.cn/molecule-130155.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-[3-(3-ethenylpiperidin-4-yl)propyl]-6-methoxyquinoline
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IUPAC Traditional name
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Synonyms
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CAS Number
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PubChem SID
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PubChem CID
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Unique Ingredient Identifier
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Wikipedia Title
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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0.49321762
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LogD (pH = 7.4)
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1.1144232
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Log P
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3.9175537
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Molar Refractivity
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94.7832 cm3
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Polarizability
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38.441845 Å3
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Polar Surface Area
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34.15 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
DETAILS
DETAILS
Wikipedia
PATENTS
PATENTS
PubChem Patent
Google Patent