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N,2,8-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide

ChemBase ID: 420249
Molecular Formular: C18H19N3OS
Molecular Mass: 325.42796
Monoisotopic Mass: 325.12488324
SMILES and InChIs

SMILES:
C(=O)(c1c2c(nc(c1)C)c(ccc2)C)N(C(c1scnc1)C)C
Canonical SMILES:
Cc1cc(C(=O)N(C(c2cncs2)C)C)c2c(n1)c(C)ccc2
InChI:
InChI=1S/C18H19N3OS/c1-11-6-5-7-14-15(8-12(2)20-17(11)14)18(22)21(4)13(3)16-9-19-10-23-16/h5-10,13H,1-4H3
InChIKey:
JCTZYPHSYFYAGJ-UHFFFAOYSA-N

Cite this record

CBID:420249 http://www.chembase.cn/molecule-420249.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,2,8-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide
IUPAC Traditional name
N,2,8-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide
Synonyms
N,2,8-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]-4-quinolinecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 25944836 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 3.0021107  LogD (pH = 7.4) 3.005916 
Log P 3.0059648  Molar Refractivity 92.5077 cm3
Polarizability 36.19811 Å3 Polar Surface Area 46.09 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.8  LOG S -3.11 
Polar Surface Area 46.09 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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