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162214505 molecular structure
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4-amino-7-methoxyquinoline-3-carboxylic acid

ChemBase ID: 120152
Molecular Formular: C11H10N2O3
Molecular Mass: 218.2087
Monoisotopic Mass: 218.06914219
SMILES and InChIs

SMILES:
c1(c(c2c(nc1)cc(cc2)OC)N)C(=O)O
Canonical SMILES:
COc1ccc2c(c1)ncc(c2N)C(=O)O
InChI:
InChI=1S/C11H10N2O3/c1-16-6-2-3-7-9(4-6)13-5-8(10(7)12)11(14)15/h2-5H,1H3,(H2,12,13)(H,14,15)
InChIKey:
COYQVZZYUHGIQE-UHFFFAOYSA-N

Cite this record

CBID:120152 http://www.chembase.cn/molecule-120152.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-7-methoxyquinoline-3-carboxylic acid
IUPAC Traditional name
4-amino-7-methoxyquinoline-3-carboxylic acid
Synonyms
4-amino-7-methoxyquinoline-3-carboxylic acid
PubChem SID
162214505
PubChem CID
50877276

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 50877276 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.9671235  H Acceptors
H Donor LogD (pH = 5.5) -0.11751469 
LogD (pH = 7.4) -0.14381318  Log P -0.11883528 
Molar Refractivity 58.3991 cm3 Polarizability 22.92111 Å3
Polar Surface Area 85.44 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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