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102871-69-2 molecular structure
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2,5,8-trimethylquinoline

ChemBase ID: 805008
Molecular Formular: C12H13N
Molecular Mass: 171.23832
Monoisotopic Mass: 171.10479942
SMILES and InChIs

SMILES:
c1c(c2c(c(c1)C)ccc(n2)C)C
Canonical SMILES:
Cc1ccc2c(n1)c(C)ccc2C
InChI:
InChI=1S/C12H13N/c1-8-4-5-9(2)12-11(8)7-6-10(3)13-12/h4-7H,1-3H3
InChIKey:
BAPDDVZQIJZBPQ-UHFFFAOYSA-N

Cite this record

CBID:805008 http://www.chembase.cn/molecule-805008.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5,8-trimethylquinoline
IUPAC Traditional name
2,5,8-trimethylquinoline
Synonyms
2,5,8-TRIMETHYLQUINOLINE
CAS Number
102871-69-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22287 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22287 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9435527  LogD (pH = 7.4) 3.282389 
Log P 3.2891135  Molar Refractivity 54.6532 cm3
Polarizability 22.363592 Å3 Polar Surface Area 12.89 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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