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35966-17-7 molecular structure
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4-hydroxy-8-methylquinoline-3-carboxylic acid

ChemBase ID: 280077
Molecular Formular: C11H9NO3
Molecular Mass: 203.19406
Monoisotopic Mass: 203.05824315
SMILES and InChIs

SMILES:
c1(c(c2c(nc1)c(ccc2)C)O)C(=O)O
Canonical SMILES:
OC(=O)c1cnc2c(c1O)cccc2C
InChI:
InChI=1S/C11H9NO3/c1-6-3-2-4-7-9(6)12-5-8(10(7)13)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKey:
UJIRBIMPTSELQD-UHFFFAOYSA-N

Cite this record

CBID:280077 http://www.chembase.cn/molecule-280077.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-hydroxy-8-methylquinoline-3-carboxylic acid
IUPAC Traditional name
4-hydroxy-8-methylquinoline-3-carboxylic acid
Synonyms
4-hydroxy-8-methylquinoline-3-carboxylic acid
CAS Number
35966-17-7
MDL Number
MFCD01829352
MFCD01909986
PubChem SID
180665608
PubChem CID
304609

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 304609 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.6882527  H Acceptors
H Donor LogD (pH = 5.5) 0.64721274 
LogD (pH = 7.4) -0.72923374  Log P 2.6483395 
Molar Refractivity 54.2576 cm3 Polarizability 21.637646 Å3
Polar Surface Area 70.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
281 - 283°C expand Show data source
Hydrophobicity(logP)
3.651 expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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