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N-[(1-methylpiperidin-3-yl)methyl]-9-oxo-9,10-dihydroacridine-4-carboxamide

ChemBase ID: 340963
Molecular Formular: C21H23N3O2
Molecular Mass: 349.42622
Monoisotopic Mass: 349.17902699
SMILES and InChIs

SMILES:
c12[nH]c3c(c(=O)c1cccc2C(=O)NCC1CN(CCC1)C)cccc3
Canonical SMILES:
CN1CCCC(C1)CNC(=O)c1cccc2c1[nH]c1ccccc1c2=O
InChI:
InChI=1S/C21H23N3O2/c1-24-11-5-6-14(13-24)12-22-21(26)17-9-4-8-16-19(17)23-18-10-3-2-7-15(18)20(16)25/h2-4,7-10,14H,5-6,11-13H2,1H3,(H,22,26)(H,23,25)
InChIKey:
YCBJANBVJPSOBJ-UHFFFAOYSA-N

Cite this record

CBID:340963 http://www.chembase.cn/molecule-340963.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(1-methylpiperidin-3-yl)methyl]-9-oxo-9,10-dihydroacridine-4-carboxamide
IUPAC Traditional name
N-[(1-methylpiperidin-3-yl)methyl]-9-oxo-10H-acridine-4-carboxamide
Synonyms
N-[(1-methylpiperidin-3-yl)methyl]-9-oxo-9,10-dihydroacridine-4-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13951612 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)
Acid pKa 14.368554  H Acceptors
H Donor LogD (pH = 5.5) 1.1596413 
LogD (pH = 7.4) 2.9337668  Log P 3.8025587 
Molar Refractivity 103.2071 cm3 Polarizability 38.905518 Å3
Polar Surface Area 61.44 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.56  LOG S -5.64 
Polar Surface Area 65.2 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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