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7-methoxy-2-{3-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl}-4-methylquinazoline

ChemBase ID: 370628
Molecular Formular: C23H32N4O3
Molecular Mass: 412.52518
Monoisotopic Mass: 412.2474409
SMILES and InChIs

SMILES:
c1(nc2c(c(n1)C)ccc(c2)OC)N1CC(C(=O)N2CC(COC)CCC2)CCC1
Canonical SMILES:
COCC1CCCN(C1)C(=O)C1CCCN(C1)c1nc(C)c2c(n1)cc(cc2)OC
InChI:
InChI=1S/C23H32N4O3/c1-16-20-9-8-19(30-3)12-21(20)25-23(24-16)27-11-5-7-18(14-27)22(28)26-10-4-6-17(13-26)15-29-2/h8-9,12,17-18H,4-7,10-11,13-15H2,1-3H3
InChIKey:
SXOWKBKBECZIQH-UHFFFAOYSA-N

Cite this record

CBID:370628 http://www.chembase.cn/molecule-370628.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methoxy-2-{3-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl}-4-methylquinazoline
IUPAC Traditional name
7-methoxy-2-{3-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl}-4-methylquinazoline
Synonyms
7-methoxy-2-(3-{[3-(methoxymethyl)-1-piperidinyl]carbonyl}-1-piperidinyl)-4-methylquinazoline

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) 2.337578  LogD (pH = 7.4) 2.5155318 
Log P 2.5183625  Molar Refractivity 117.268 cm3
Polarizability 45.84484 Å3 Polar Surface Area 67.79 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.91  LOG S -4.39 
Polar Surface Area 67.79 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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