Tìm theo
N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
Thuốc Gốc
Small Molecule
CTHH: C24H27ClN4O4
PTK: 470.949
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C24H27ClN4O4
Phân tử khối
470.949
Monoisotopic mass
470.172083079
InChI
InChI=1S/C24H27ClN4O4/c1-30-20-12-16-18(13-21(20)31-11-5-10-29-8-3-2-4-9-29)26-14-27-24(16)28-22-17(25)6-7-19-23(22)33-15-32-19/h6-7,12-14H,2-5,8-11,15H2,1H3,(H,26,27,28)
InChI Key
InChIKey=QHIMVPIOWKYPSO-UHFFFAOYSA-N
IUPAC Name
N-(5-chloro-2H-1,3-benzodioxol-4-yl)-6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-amine
Traditional IUPAC Name
N-(5-chloro-2H-1,3-benzodioxol-4-yl)-6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-amine
SMILES
COC1=C(OCCCN2CCCCC2)C=C2N=CN=C(NC3=C(Cl)C=CC4=C3OCO4)C2=C1
Độ hòa tan
1.99e-02 g/l
logP
4.3
logS
-4.4
pKa (strongest acidic)
12.85
pKa (Strongest Basic)
9.03
PSA
77.97 Å2
Refractivity
126.12 m3·mol-1
Polarizability
50.52 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
8
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB07249
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5330197
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99443720
ChemSpider
http://www.chemspider.com/Chemical-Structure.4487348.html
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