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N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}-2,6-dimethylquinoline-4-carboxamide

ChemBase ID: 370515
Molecular Formular: C18H20N4O3
Molecular Mass: 340.3764
Monoisotopic Mass: 340.15354052
SMILES and InChIs

SMILES:
n1c(noc1CCNC(=O)c1c2c(nc(c1)C)ccc(c2)C)COC
Canonical SMILES:
COCc1noc(n1)CCNC(=O)c1cc(C)nc2c1cc(C)cc2
InChI:
InChI=1S/C18H20N4O3/c1-11-4-5-15-13(8-11)14(9-12(2)20-15)18(23)19-7-6-17-21-16(10-24-3)22-25-17/h4-5,8-9H,6-7,10H2,1-3H3,(H,19,23)
InChIKey:
HOWINYQYVPMULU-UHFFFAOYSA-N

Cite this record

CBID:370515 http://www.chembase.cn/molecule-370515.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}-2,6-dimethylquinoline-4-carboxamide
IUPAC Traditional name
N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}-2,6-dimethylquinoline-4-carboxamide
Synonyms
N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}-2,6-dimethyl-4-quinolinecarboxamide

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)
Acid pKa 15.218247  H Acceptors
H Donor LogD (pH = 5.5) 2.0214179 
LogD (pH = 7.4) 2.027012  Log P 2.0270839 
Molar Refractivity 93.92 cm3 Polarizability 36.06821 Å3
Polar Surface Area 90.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.58  LOG S -3.03 
Polar Surface Area 90.14 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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