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915923-55-6 molecular structure
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N-(2-formylquinolin-6-yl)acetamide

ChemBase ID: 143762
Molecular Formular: C12H10N2O2
Molecular Mass: 214.22
Monoisotopic Mass: 214.07422757
SMILES and InChIs

SMILES:
CC(=O)Nc1ccc2c(c1)ccc(n2)C=O
Canonical SMILES:
O=Cc1ccc2c(n1)ccc(c2)NC(=O)C
InChI:
InChI=1S/C12H10N2O2/c1-8(16)13-10-4-5-12-9(6-10)2-3-11(7-15)14-12/h2-7H,1H3,(H,13,16)
InChIKey:
GKQGSRDYZYMTCE-UHFFFAOYSA-N

Cite this record

CBID:143762 http://www.chembase.cn/molecule-143762.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-formylquinolin-6-yl)acetamide
IUPAC Traditional name
N-(2-formylquinolin-6-yl)acetamide
Synonyms
N-(2-Formylquinolin-6-yl)acetamide
N-(2-formylquinolin-6-yl)acetamide
CAS Number
915923-55-6
MDL Number
MFCD08059716
PubChem SID
162237979
PubChem CID
28063055

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 28063055 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.269884  H Acceptors
H Donor LogD (pH = 5.5) 1.7546314 
LogD (pH = 7.4) 1.7556434  Log P 1.7556562 
Molar Refractivity 61.0411 cm3 Polarizability 23.72226 Å3
Polar Surface Area 59.06 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Empirical Formula (Hill Notation)
C12H10N2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00464 external link
Other Notes
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Legal Information
Product of ChemBridge Corp.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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