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1160261-22-2 molecular structure
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8-ethyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride

ChemBase ID: 57127
Molecular Formular: C19H16ClNO
Molecular Mass: 309.78944
Monoisotopic Mass: 309.09204182
SMILES and InChIs

SMILES:
c1cc(c2c(c1)c(cc(n2)c1ccc(cc1)C)C(=O)Cl)CC
Canonical SMILES:
CCc1cccc2c1nc(cc2C(=O)Cl)c1ccc(cc1)C
InChI:
InChI=1S/C19H16ClNO/c1-3-13-5-4-6-15-16(19(20)22)11-17(21-18(13)15)14-9-7-12(2)8-10-14/h4-11H,3H2,1-2H3
InChIKey:
COTOAIPOGDAYCE-UHFFFAOYSA-N

Cite this record

CBID:57127 http://www.chembase.cn/molecule-57127.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-ethyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride
IUPAC Traditional name
8-ethyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride
Synonyms
8-Ethyl-2-(p-tolyl)quinoline-4-carbonyl chloride
8-Ethyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride
CAS Number
1160261-22-2
MDL Number
MFCD12198059
PubChem SID
162061890
PubChem CID
46779808

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46779808 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.8262715  LogD (pH = 7.4) 5.8262997 
Log P 5.8263  Molar Refractivity 90.5416 cm3
Polarizability 37.0952 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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