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66735-41-9 molecular structure
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7-methoxy-2-methylquinolin-4-amine

ChemBase ID: 805191
Molecular Formular: C11H12N2O
Molecular Mass: 188.22578
Monoisotopic Mass: 188.09496301
SMILES and InChIs

SMILES:
c1(cc2c(cc1)c(cc(n2)C)N)OC
Canonical SMILES:
COc1ccc2c(c1)nc(cc2N)C
InChI:
InChI=1S/C11H12N2O/c1-7-5-10(12)9-4-3-8(14-2)6-11(9)13-7/h3-6H,1-2H3,(H2,12,13)
InChIKey:
DFEFIEPUGGZAFP-UHFFFAOYSA-N

Cite this record

CBID:805191 http://www.chembase.cn/molecule-805191.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methoxy-2-methylquinolin-4-amine
IUPAC Traditional name
7-methoxy-2-methylquinolin-4-amine
Synonyms
4-AMINO-7-METHOXY-2-METHYLQUINOLINE
CAS Number
66735-41-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22476 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22476 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) -0.5208862  LogD (pH = 7.4) -0.057371058 
Log P 1.2756734  Molar Refractivity 55.7344 cm3
Polarizability 22.383503 Å3 Polar Surface Area 48.14 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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