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65674-07-9 molecular structure
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2,5,7-trimethylquinolin-4-ol

ChemBase ID: 813610
Molecular Formular: C12H13NO
Molecular Mass: 187.23772
Monoisotopic Mass: 187.09971404
SMILES and InChIs

SMILES:
c1(cc2c(c(c1)C)c(cc(n2)C)O)C
Canonical SMILES:
Cc1cc(C)c2c(c1)nc(cc2O)C
InChI:
InChI=1S/C12H13NO/c1-7-4-8(2)12-10(5-7)13-9(3)6-11(12)14/h4-6H,1-3H3,(H,13,14)
InChIKey:
RLAFUJHEIQCSIU-UHFFFAOYSA-N

Cite this record

CBID:813610 http://www.chembase.cn/molecule-813610.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5,7-trimethylquinolin-4-ol
IUPAC Traditional name
2,5,7-trimethylquinolin-4-ol
Synonyms
2,5,7-TRIMETHYL-4-QUINOLINOL
CAS Number
65674-07-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35530 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35530 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.930166  H Acceptors
H Donor LogD (pH = 5.5) 2.9793751 
LogD (pH = 7.4) 2.985342  Log P 2.985548 
Molar Refractivity 56.6341 cm3 Polarizability 22.887085 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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