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1006890-01-2 molecular structure
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7-methoxy-4-(pyridin-3-yl)-6-[2-(quinolin-2-yl)ethoxy]quinazoline

ChemBase ID: 173153
Molecular Formular: C25H20N4O2
Molecular Mass: 408.4519
Monoisotopic Mass: 408.1586259
SMILES and InChIs

SMILES:
n1cnc2c(c1c1cnccc1)cc(c(c2)OC)OCCc1ccc2c(n1)cccc2
Canonical SMILES:
COc1cc2ncnc(c2cc1OCCc1ccc2c(n1)cccc2)c1cccnc1
InChI:
InChI=1S/C25H20N4O2/c1-30-23-14-22-20(25(28-16-27-22)18-6-4-11-26-15-18)13-24(23)31-12-10-19-9-8-17-5-2-3-7-21(17)29-19/h2-9,11,13-16H,10,12H2,1H3
InChIKey:
FVMVYWKWNZLMBT-UHFFFAOYSA-N

Cite this record

CBID:173153 http://www.chembase.cn/molecule-173153.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methoxy-4-(pyridin-3-yl)-6-[2-(quinolin-2-yl)ethoxy]quinazoline
IUPAC Traditional name
7-methoxy-4-(pyridin-3-yl)-6-[2-(quinolin-2-yl)ethoxy]quinazoline
Synonyms
7-methoxy-4-(3-pyridinyl)-6-[2-(2-quinolinyl)ethoxy]quinazoline
7-Methoxy-4-(pyridin-3-yl)-6-[2-(quinolin-2-yl)ethoxy]quinazoline
CAS Number
1006890-01-2
PubChem SID
164229063
PubChem CID
24945707

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC M267140 external link Add to cart
PubChem 24945707 external link
Data Source Data ID Price
TRC
M267140 external link Add to cart Please log in.
Data Source Data ID
PubChem 24945707 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.0531683  LogD (pH = 7.4) 4.1247735 
Log P 4.1257358  Molar Refractivity 117.0453 cm3
Polarizability 49.24055 Å3 Polar Surface Area 70.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M267140 external link
7-Methoxy-4-(pyridin-3-yl)-6-[2-(quinolin-2-yl)ethoxy]quinazoline is a potent and selective compound in the phosphodiesterase 10A (PDE10A) inhibitor lead series for schizophrenia therapy.

REFERENCES

REFERENCES

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  • • Helal, C.J. et al.: J. Med. Chem., 54, 4536 (2011)
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PATENTS

PATENTS

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INTERNET

INTERNET

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