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6-(2-methoxybenzoyl)-1-[2-(piperidin-1-yl)ethyl]-3-(pyridin-4-yl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridin-2-one

ChemBase ID: 370232
Molecular Formular: C28H32N4O3
Molecular Mass: 472.57868
Monoisotopic Mass: 472.2474409
SMILES and InChIs

SMILES:
n1(c(=O)c(cc2c1CCN(C(=O)c1c(OC)cccc1)C2)c1ccncc1)CCN1CCCCC1
Canonical SMILES:
COc1ccccc1C(=O)N1CCc2c(C1)cc(c(=O)n2CCN1CCCCC1)c1ccncc1
InChI:
InChI=1S/C28H32N4O3/c1-35-26-8-4-3-7-23(26)27(33)31-16-11-25-22(20-31)19-24(21-9-12-29-13-10-21)28(34)32(25)18-17-30-14-5-2-6-15-30/h3-4,7-10,12-13,19H,2,5-6,11,14-18,20H2,1H3
InChIKey:
MIJRNDOEFWJQIW-UHFFFAOYSA-N

Cite this record

CBID:370232 http://www.chembase.cn/molecule-370232.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(2-methoxybenzoyl)-1-[2-(piperidin-1-yl)ethyl]-3-(pyridin-4-yl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridin-2-one
IUPAC Traditional name
6-(2-methoxybenzoyl)-1-[2-(piperidin-1-yl)ethyl]-3-(pyridin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
Synonyms
6-(2-methoxybenzoyl)-1-[2-(1-piperidinyl)ethyl]-3-(4-pyridinyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one

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) -0.78302145  LogD (pH = 7.4) 1.0053358 
Log P 1.8883977  Molar Refractivity 138.5536 cm3
Polarizability 52.131134 Å3 Polar Surface Area 65.98 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.15  LOG S -3.85 
Polar Surface Area 67.67 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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