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N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide

ChemBase ID: 340983
Molecular Formular: C18H17FN4O2
Molecular Mass: 340.3515832
Monoisotopic Mass: 340.13355402
SMILES and InChIs

SMILES:
n1c(onc1CCN(C(=O)c1nc2c(F)cccc2cc1)C)C1CC1
Canonical SMILES:
CN(C(=O)c1ccc2c(n1)c(F)ccc2)CCc1noc(n1)C1CC1
InChI:
InChI=1S/C18H17FN4O2/c1-23(10-9-15-21-17(25-22-15)12-5-6-12)18(24)14-8-7-11-3-2-4-13(19)16(11)20-14/h2-4,7-8,12H,5-6,9-10H2,1H3
InChIKey:
FUHBQHYIASBTEL-UHFFFAOYSA-N

Cite this record

CBID:340983 http://www.chembase.cn/molecule-340983.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide
IUPAC Traditional name
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide
Synonyms
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 3.0409868  LogD (pH = 7.4) 3.0409868 
Log P 3.0409868  Molar Refractivity 89.9742 cm3
Polarizability 34.416348 Å3 Polar Surface Area 72.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.99  LOG S -2.53 
Polar Surface Area 72.12 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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