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N-(2-methoxyethyl)-3-methyl-N-{[6-methyl-2-(pyrrolidin-1-yl)quinolin-3-yl]methyl}thiophene-2-carboxamide

ChemBase ID: 341266
Molecular Formular: C24H29N3O2S
Molecular Mass: 423.57096
Monoisotopic Mass: 423.19804818
SMILES and InChIs

SMILES:
c1(c(CN(C(=O)c2c(ccs2)C)CCOC)cc2c(n1)ccc(c2)C)N1CCCC1
Canonical SMILES:
COCCN(C(=O)c1sccc1C)Cc1cc2cc(C)ccc2nc1N1CCCC1
InChI:
InChI=1S/C24H29N3O2S/c1-17-6-7-21-19(14-17)15-20(23(25-21)26-9-4-5-10-26)16-27(11-12-29-3)24(28)22-18(2)8-13-30-22/h6-8,13-15H,4-5,9-12,16H2,1-3H3
InChIKey:
KEEMUAAYJPWROH-UHFFFAOYSA-N

Cite this record

CBID:341266 http://www.chembase.cn/molecule-341266.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-methoxyethyl)-3-methyl-N-{[6-methyl-2-(pyrrolidin-1-yl)quinolin-3-yl]methyl}thiophene-2-carboxamide
IUPAC Traditional name
N-(2-methoxyethyl)-3-methyl-N-{[6-methyl-2-(pyrrolidin-1-yl)quinolin-3-yl]methyl}thiophene-2-carboxamide
Synonyms
N-(2-methoxyethyl)-3-methyl-N-{[6-methyl-2-(1-pyrrolidinyl)-3-quinolinyl]methyl}-2-thiophenecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 4.7856812  LogD (pH = 7.4) 5.1470227 
Log P 5.1544137  Molar Refractivity 123.7626 cm3
Polarizability 47.38165 Å3 Polar Surface Area 45.67 Å2
Rotatable Bonds Lipinski's Rule of Five false 
H Acceptors H Donor
Log P 5.36  LOG S -5.26 
Polar Surface Area 45.67 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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