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1-(7-methoxy-4-methylquinazolin-2-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine

ChemBase ID: 340404
Molecular Formular: C22H32N4O2
Molecular Mass: 384.51508
Monoisotopic Mass: 384.25252628
SMILES and InChIs

SMILES:
c1(nc2c(c(n1)C)ccc(c2)OC)N1CCC(N(CC2OCCCC2)C)CC1
Canonical SMILES:
COc1ccc2c(c1)nc(nc2C)N1CCC(CC1)N(CC1CCCCO1)C
InChI:
InChI=1S/C22H32N4O2/c1-16-20-8-7-18(27-3)14-21(20)24-22(23-16)26-11-9-17(10-12-26)25(2)15-19-6-4-5-13-28-19/h7-8,14,17,19H,4-6,9-13,15H2,1-3H3
InChIKey:
IIDHGMMCKOZUDW-UHFFFAOYSA-N

Cite this record

CBID:340404 http://www.chembase.cn/molecule-340404.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(7-methoxy-4-methylquinazolin-2-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine
IUPAC Traditional name
1-(7-methoxy-4-methylquinazolin-2-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine
Synonyms
1-(7-methoxy-4-methyl-2-quinazolinyl)-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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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) -0.47593194  LogD (pH = 7.4) 1.0364048 
Log P 3.075555  Molar Refractivity 112.5366 cm3
Polarizability 44.33158 Å3 Polar Surface Area 50.72 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.95  LOG S -3.83 
Polar Surface Area 50.72 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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