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N-(1-{1-[2-(quinazolin-4-yloxy)acetyl]piperidin-4-yl}-1H-pyrazol-5-yl)acetamide

ChemBase ID: 340566
Molecular Formular: C20H22N6O3
Molecular Mass: 394.42708
Monoisotopic Mass: 394.17533859
SMILES and InChIs

SMILES:
c1(n(ncc1)C1CCN(C(=O)COc2c3c(ncn2)cccc3)CC1)NC(=O)C
Canonical SMILES:
CC(=O)Nc1ccnn1C1CCN(CC1)C(=O)COc1ncnc2c1cccc2
InChI:
InChI=1S/C20H22N6O3/c1-14(27)24-18-6-9-23-26(18)15-7-10-25(11-8-15)19(28)12-29-20-16-4-2-3-5-17(16)21-13-22-20/h2-6,9,13,15H,7-8,10-12H2,1H3,(H,24,27)
InChIKey:
VJPIWTPIRNHFBR-UHFFFAOYSA-N

Cite this record

CBID:340566 http://www.chembase.cn/molecule-340566.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(1-{1-[2-(quinazolin-4-yloxy)acetyl]piperidin-4-yl}-1H-pyrazol-5-yl)acetamide
IUPAC Traditional name
N-(2-{1-[2-(quinazolin-4-yloxy)acetyl]piperidin-4-yl}pyrazol-3-yl)acetamide
Synonyms
N-(1-{1-[2-(4-quinazolinyloxy)acetyl]-4-piperidinyl}-1H-pyrazol-5-yl)acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13895382 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 13.61258  H Acceptors
H Donor LogD (pH = 5.5) 0.54454106 
LogD (pH = 7.4) 0.5449797  Log P 0.54498553 
Molar Refractivity 117.8181 cm3 Polarizability 41.400803 Å3
Polar Surface Area 102.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.49  LOG S -4.66 
Polar Surface Area 102.24 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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