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6-[4-(1,2,3,4-tetrahydroisoquinolin-2-yl)piperidine-1-carbonyl]quinoline

ChemBase ID: 370225
Molecular Formular: C24H25N3O
Molecular Mass: 371.4748
Monoisotopic Mass: 371.19976244
SMILES and InChIs

SMILES:
C(=O)(N1CCC(N2Cc3c(CC2)cccc3)CC1)c1cc2c(nccc2)cc1
Canonical SMILES:
O=C(c1ccc2c(c1)cccn2)N1CCC(CC1)N1CCc2c(C1)cccc2
InChI:
InChI=1S/C24H25N3O/c28-24(20-7-8-23-19(16-20)6-3-12-25-23)26-14-10-22(11-15-26)27-13-9-18-4-1-2-5-21(18)17-27/h1-8,12,16,22H,9-11,13-15,17H2
InChIKey:
XZKNNRCKJIORSO-UHFFFAOYSA-N

Cite this record

CBID:370225 http://www.chembase.cn/molecule-370225.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-[4-(1,2,3,4-tetrahydroisoquinolin-2-yl)piperidine-1-carbonyl]quinoline
IUPAC Traditional name
6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]quinoline
Synonyms
6-{[4-(3,4-dihydro-2(1H)-isoquinolinyl)-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)
H Acceptors H Donor
LogD (pH = 5.5) 0.05078668  LogD (pH = 7.4) 1.692351 
Log P 3.2200606  Molar Refractivity 112.2244 cm3
Polarizability 44.14777 Å3 Polar Surface Area 36.44 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.69  LOG S -4.21 
Polar Surface Area 36.44 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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