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N,N-dimethyl-5-(6-methylquinolin-5-yl)thiophene-2-carboxamide

ChemBase ID: 321081
Molecular Formular: C17H16N2OS
Molecular Mass: 296.38674
Monoisotopic Mass: 296.09833414
SMILES and InChIs

SMILES:
c1(sc(C(=O)N(C)C)cc1)c1c2c(nccc2)ccc1C
Canonical SMILES:
CN(C(=O)c1ccc(s1)c1c(C)ccc2c1cccn2)C
InChI:
InChI=1S/C17H16N2OS/c1-11-6-7-13-12(5-4-10-18-13)16(11)14-8-9-15(21-14)17(20)19(2)3/h4-10H,1-3H3
InChIKey:
SAUAFHOVZAYSLA-UHFFFAOYSA-N

Cite this record

CBID:321081 http://www.chembase.cn/molecule-321081.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethyl-5-(6-methylquinolin-5-yl)thiophene-2-carboxamide
IUPAC Traditional name
N,N-dimethyl-5-(6-methylquinolin-5-yl)thiophene-2-carboxamide
Synonyms
N,N-dimethyl-5-(6-methylquinolin-5-yl)thiophene-2-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11097251 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) 3.4621913  LogD (pH = 7.4) 3.49864 
Log P 3.4991271  Molar Refractivity 85.7025 cm3
Polarizability 34.892376 Å3 Polar Surface Area 33.2 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.99  LOG S -3.92 
Polar Surface Area 33.2 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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