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420830-23-5 molecular structure
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6-fluoro-7-(morpholin-4-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

ChemBase ID: 311233
Molecular Formular: C14H13FN2O4
Molecular Mass: 292.2624232
Monoisotopic Mass: 292.08593513
SMILES and InChIs

SMILES:
c1(c(=O)c2c([nH]c1)cc(c(c2)F)N1CCOCC1)C(=O)O
Canonical SMILES:
Fc1cc2c(cc1N1CCOCC1)[nH]cc(c2=O)C(=O)O
InChI:
InChI=1S/C14H13FN2O4/c15-10-5-8-11(16-7-9(13(8)18)14(19)20)6-12(10)17-1-3-21-4-2-17/h5-7H,1-4H2,(H,16,18)(H,19,20)
InChIKey:
AXYKRTOTGYPZRW-UHFFFAOYSA-N

Cite this record

CBID:311233 http://www.chembase.cn/molecule-311233.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-fluoro-7-(morpholin-4-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC Traditional name
6-fluoro-7-(morpholin-4-yl)-4-oxo-1H-quinoline-3-carboxylic acid
Synonyms
6-fluoro-7-morpholin-4-yl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS Number
420830-23-5
MDL Number
MFCD20502996

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Donor LogD (pH = 5.5) 1.3843126 
LogD (pH = 7.4) 0.11046123  Log P 1.5694184 
Molar Refractivity 74.8125 cm3 Polarizability 26.726812 Å3
Polar Surface Area 78.87 Å2 H Acceptors

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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