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N-methyl-1-(4-methylphenyl)-N-(quinolin-5-ylmethyl)cyclopropane-1-carboxamide

ChemBase ID: 865570
Molecular Formular: C22H22N2O
Molecular Mass: 330.42288
Monoisotopic Mass: 330.17321333
SMILES and InChIs

SMILES:
C1(C(=O)N(Cc2c3c(nccc3)ccc2)C)(CC1)c1ccc(cc1)C
Canonical SMILES:
Cc1ccc(cc1)C1(CC1)C(=O)N(Cc1cccc2c1cccn2)C
InChI:
InChI=1S/C22H22N2O/c1-16-8-10-18(11-9-16)22(12-13-22)21(25)24(2)15-17-5-3-7-20-19(17)6-4-14-23-20/h3-11,14H,12-13,15H2,1-2H3
InChIKey:
BCKNXFNEMKXZNL-UHFFFAOYSA-N

Cite this record

CBID:865570 http://www.chembase.cn/molecule-865570.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-1-(4-methylphenyl)-N-(quinolin-5-ylmethyl)cyclopropane-1-carboxamide
IUPAC Traditional name
N-methyl-1-(4-methylphenyl)-N-(quinolin-5-ylmethyl)cyclopropane-1-carboxamide
Synonyms
N-methyl-1-(4-methylphenyl)-N-(5-quinolinylmethyl)cyclopropanecarboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66700433 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) 4.2641425  LogD (pH = 7.4) 4.2819943 
Log P 4.2822275  Molar Refractivity 99.8296 cm3
Polarizability 39.901913 Å3 Polar Surface Area 33.2 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.36  LOG S -4.48 
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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