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3-{imidazo[1,2-a]pyridin-3-ylmethyl}-8-methoxy-3,4-dihydroquinazolin-4-one

ChemBase ID: 470387
Molecular Formular: C17H14N4O2
Molecular Mass: 306.31866
Monoisotopic Mass: 306.11167571
SMILES and InChIs

SMILES:
n1(c(=O)c2c(nc1)c(OC)ccc2)Cc1n2c(nc1)cccc2
Canonical SMILES:
COc1cccc2c1ncn(c2=O)Cc1cnc2n1cccc2
InChI:
InChI=1S/C17H14N4O2/c1-23-14-6-4-5-13-16(14)19-11-20(17(13)22)10-12-9-18-15-7-2-3-8-21(12)15/h2-9,11H,10H2,1H3
InChIKey:
VJLWACXJHQGTHW-UHFFFAOYSA-N

Cite this record

CBID:470387 http://www.chembase.cn/molecule-470387.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-{imidazo[1,2-a]pyridin-3-ylmethyl}-8-methoxy-3,4-dihydroquinazolin-4-one
IUPAC Traditional name
3-{imidazo[1,2-a]pyridin-3-ylmethyl}-8-methoxyquinazolin-4-one
Synonyms
3-(imidazo[1,2-a]pyridin-3-ylmethyl)-8-methoxyquinazolin-4(3H)-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) 0.5851902  LogD (pH = 7.4) 1.1961863 
Log P 1.2215245  Molar Refractivity 88.6278 cm3
Polarizability 31.898226 Å3 Polar Surface Area 59.2 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.59  LOG S -2.79 
Polar Surface Area 61.42 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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