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7-fluoro-N,2-dimethyl-N-[3-(oxolan-2-yl)propyl]quinoline-4-carboxamide

ChemBase ID: 370775
Molecular Formular: C19H23FN2O2
Molecular Mass: 330.3965232
Monoisotopic Mass: 330.17435621
SMILES and InChIs

SMILES:
c1(C(=O)N(CCCC2OCCC2)C)c2c(nc(c1)C)cc(cc2)F
Canonical SMILES:
Fc1ccc2c(c1)nc(cc2C(=O)N(CCCC1CCCO1)C)C
InChI:
InChI=1S/C19H23FN2O2/c1-13-11-17(16-8-7-14(20)12-18(16)21-13)19(23)22(2)9-3-5-15-6-4-10-24-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3
InChIKey:
YBNBOFICSZUDIT-UHFFFAOYSA-N

Cite this record

CBID:370775 http://www.chembase.cn/molecule-370775.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-fluoro-N,2-dimethyl-N-[3-(oxolan-2-yl)propyl]quinoline-4-carboxamide
IUPAC Traditional name
7-fluoro-N,2-dimethyl-N-[3-(oxolan-2-yl)propyl]quinoline-4-carboxamide
Synonyms
7-fluoro-N,2-dimethyl-N-[3-(tetrahydro-2-furanyl)propyl]-4-quinolinecarboxamide

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) 2.6977072  LogD (pH = 7.4) 2.6988616 
Log P 2.6988764  Molar Refractivity 91.4237 cm3
Polarizability 35.886284 Å3 Polar Surface Area 42.43 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.93  LOG S -3.26 
Polar Surface Area 42.43 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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