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4-(6-fluoro-2-methylquinolin-4-yl)benzamide

ChemBase ID: 341634
Molecular Formular: C17H13FN2O
Molecular Mass: 280.2963232
Monoisotopic Mass: 280.10119127
SMILES and InChIs

SMILES:
c1(c2c(nc(c1)C)ccc(c2)F)c1ccc(C(=O)N)cc1
Canonical SMILES:
Fc1ccc2c(c1)c(cc(n2)C)c1ccc(cc1)C(=O)N
InChI:
InChI=1S/C17H13FN2O/c1-10-8-14(11-2-4-12(5-3-11)17(19)21)15-9-13(18)6-7-16(15)20-10/h2-9H,1H3,(H2,19,21)
InChIKey:
LBJRXZTUTRGZQV-UHFFFAOYSA-N

Cite this record

CBID:341634 http://www.chembase.cn/molecule-341634.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(6-fluoro-2-methylquinolin-4-yl)benzamide
IUPAC Traditional name
4-(6-fluoro-2-methylquinolin-4-yl)benzamide
Synonyms
4-(6-fluoro-2-methylquinolin-4-yl)benzamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 14047406 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.41665  H Acceptors
H Donor LogD (pH = 5.5) 2.8816867 
LogD (pH = 7.4) 2.9025652  Log P 2.9028382 
Molar Refractivity 79.0018 cm3 Polarizability 32.158524 Å3
Polar Surface Area 55.98 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.9  LOG S -3.72 
Polar Surface Area 55.98 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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