Home > Compound List > Compound details
73281-83-1 molecular structure
click picture or here to close

1,2-dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

ChemBase ID: 304214
Molecular Formular: C12H11NO3
Molecular Mass: 217.22064
Monoisotopic Mass: 217.07389322
SMILES and InChIs

SMILES:
c1ccc2c(c1)c(=O)c(c(n2C)C)C(=O)O
Canonical SMILES:
OC(=O)c1c(C)n(C)c2c(c1=O)cccc2
InChI:
InChI=1S/C12H11NO3/c1-7-10(12(15)16)11(14)8-5-3-4-6-9(8)13(7)2/h3-6H,1-2H3,(H,15,16)
InChIKey:
RDEXTEPFIVECBD-UHFFFAOYSA-N

Cite this record

CBID:304214 http://www.chembase.cn/molecule-304214.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC Traditional name
1,2-dimethyl-4-oxoquinoline-3-carboxylic acid
Synonyms
NNP
1,2-Dimethylquinolin-4-one-3-carboxylic acid
CAS Number
73281-83-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP00330
Data Source Data ID Price
BioBioPha
BBP00330 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.1836286  H Acceptors
H Donor LogD (pH = 5.5) 1.4934226 
LogD (pH = 7.4) 0.33529204  Log P 1.5751781 
Molar Refractivity 61.1469 cm3 Polarizability 22.122982 Å3
Polar Surface Area 57.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Powder expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle