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1-(morpholin-4-yl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one

ChemBase ID: 341403
Molecular Formular: C22H27N3O3
Molecular Mass: 381.46808
Monoisotopic Mass: 381.20524174
SMILES and InChIs

SMILES:
C(=O)(N1CCC(CCC(=O)N2CCOCC2)CC1)c1cc2c(nccc2)cc1
Canonical SMILES:
O=C(N1CCOCC1)CCC1CCN(CC1)C(=O)c1ccc2c(c1)cccn2
InChI:
InChI=1S/C22H27N3O3/c26-21(24-12-14-28-15-13-24)6-3-17-7-10-25(11-8-17)22(27)19-4-5-20-18(16-19)2-1-9-23-20/h1-2,4-5,9,16-17H,3,6-8,10-15H2
InChIKey:
FSKYWHUCCNSFOJ-UHFFFAOYSA-N

Cite this record

CBID:341403 http://www.chembase.cn/molecule-341403.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(morpholin-4-yl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one
IUPAC Traditional name
1-(morpholin-4-yl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one
Synonyms
6-({4-[3-(4-morpholinyl)-3-oxopropyl]-1-piperidinyl}carbonyl)quinoline

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)
LogD (pH = 5.5) 1.5438087  LogD (pH = 7.4) 1.5569129 
Log P 1.5570828  Molar Refractivity 107.0992 cm3
Polarizability 42.314167 Å3 Polar Surface Area 62.74 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.0  LOG S -3.01 
Polar Surface Area 62.74 Å2 Rotatable Bonds
H Acceptors H Donor

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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