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102269-27-2 molecular structure
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1-ethyl-6-(furan-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

ChemBase ID: 311392
Molecular Formular: C16H13NO4
Molecular Mass: 283.27872
Monoisotopic Mass: 283.0844579
SMILES and InChIs

SMILES:
c1(c(=O)c2c(n(c1)CC)ccc(c2)c1occc1)C(=O)O
Canonical SMILES:
CCn1cc(C(=O)O)c(=O)c2c1ccc(c2)c1ccco1
InChI:
InChI=1S/C16H13NO4/c1-2-17-9-12(16(19)20)15(18)11-8-10(5-6-13(11)17)14-4-3-7-21-14/h3-9H,2H2,1H3,(H,19,20)
InChIKey:
IKDLXOCVUWBNMT-UHFFFAOYSA-N

Cite this record

CBID:311392 http://www.chembase.cn/molecule-311392.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethyl-6-(furan-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC Traditional name
1-ethyl-6-(furan-2-yl)-4-oxoquinoline-3-carboxylic acid
Synonyms
1-ethyl-6-(2-furyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS Number
102269-27-2
MDL Number
MFCD02053223

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3163478  LogD (pH = 7.4) 1.0167452 
Log P 2.4373853  Molar Refractivity 77.6035 cm3
Polarizability 29.918077 Å3 Polar Surface Area 70.75 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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