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N-[3-(2-methylquinolin-5-yl)phenyl]acetamide

ChemBase ID: 322449
Molecular Formular: C18H16N2O
Molecular Mass: 276.33244
Monoisotopic Mass: 276.12626314
SMILES and InChIs

SMILES:
c12c(c3cc(NC(=O)C)ccc3)cccc1nc(cc2)C
Canonical SMILES:
CC(=O)Nc1cccc(c1)c1cccc2c1ccc(n2)C
InChI:
InChI=1S/C18H16N2O/c1-12-9-10-17-16(7-4-8-18(17)19-12)14-5-3-6-15(11-14)20-13(2)21/h3-11H,1-2H3,(H,20,21)
InChIKey:
DFKJAOAGLZJVSU-UHFFFAOYSA-N

Cite this record

CBID:322449 http://www.chembase.cn/molecule-322449.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[3-(2-methylquinolin-5-yl)phenyl]acetamide
IUPAC Traditional name
N-[3-(2-methylquinolin-5-yl)phenyl]acetamide
Synonyms
N-[3-(2-methylquinolin-5-yl)phenyl]acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11292988 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 14.207392  H Acceptors
H Donor LogD (pH = 5.5) 3.0279987 
LogD (pH = 7.4) 3.1454742  Log P 3.1472063 
Molar Refractivity 84.57 cm3 Polarizability 34.680347 Å3
Polar Surface Area 41.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.44  LOG S -4.15 
Polar Surface Area 41.99 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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