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8-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
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ChemBase ID:
306959
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Molecular Formular:
C11H11NO4
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Molecular Mass:
221.20934
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Monoisotopic Mass:
221.06880784
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SMILES and InChIs
SMILES:
c12NC(=O)CC(c1cccc2OC)C(=O)O
Canonical SMILES:
COc1cccc2c1NC(=O)CC2C(=O)O
InChI:
InChI=1S/C11H11NO4/c1-16-8-4-2-3-6-7(11(14)15)5-9(13)12-10(6)8/h2-4,7H,5H2,1H3,(H,12,13)(H,14,15)
InChIKey:
PSFFRBNBXIMPJH-UHFFFAOYSA-N
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Cite this record
CBID:306959 http://www.chembase.cn/molecule-306959.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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8-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
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IUPAC Traditional name
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8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
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Synonyms
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8-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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-1.2014706
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LogD (pH = 7.4)
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-2.71719
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Log P
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0.5816921
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Molar Refractivity
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56.889 cm3
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Polarizability
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21.265673 Å3
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Polar Surface Area
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75.63 Å2
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent