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948294-63-1 molecular structure
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2-chloro-3-(3-chloropropyl)-6-ethoxyquinoline

ChemBase ID: 805107
Molecular Formular: C14H15Cl2NO
Molecular Mass: 284.181
Monoisotopic Mass: 283.05306947
SMILES and InChIs

SMILES:
c1cc2c(cc1OCC)cc(c(n2)Cl)CCCCl
Canonical SMILES:
ClCCCc1cc2cc(OCC)ccc2nc1Cl
InChI:
InChI=1S/C14H15Cl2NO/c1-2-18-12-5-6-13-11(9-12)8-10(4-3-7-15)14(16)17-13/h5-6,8-9H,2-4,7H2,1H3
InChIKey:
HPJPNDYPWRSFAK-UHFFFAOYSA-N

Cite this record

CBID:805107 http://www.chembase.cn/molecule-805107.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-3-(3-chloropropyl)-6-ethoxyquinoline
IUPAC Traditional name
2-chloro-3-(3-chloropropyl)-6-ethoxyquinoline
Synonyms
2-CHLORO-3-(3-CHLOROPROPYL)-6-ETHOXYQUINOLINE
CAS Number
948294-63-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22386 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22386 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) 4.474716  LogD (pH = 7.4) 4.474731 
Log P 4.474731  Molar Refractivity 76.2801 cm3
Polarizability 30.478745 Å3 Polar Surface Area 22.12 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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