5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE
Thuốc Gốc
Small Molecule
CTHH: C13H13N3O
PTK: 227.2618
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
227.2618
Monoisotopic mass
227.105862053
InChI
InChI=1S/C13H13N3O/c1-3-16-10-7-5-4-6-9(10)12-11(13(16)17)8(2)14-15-12/h4-7H,3H2,1-2H3,(H,14,15)
InChI Key
InChIKey=ASEHARDUZDZEKS-UHFFFAOYSA-N
IUPAC Name
5-ethyl-3-methyl-1H,4H,5H-pyrazolo[4,3-c]quinolin-4-one
Traditional IUPAC Name
5-ethyl-3-methyl-1H-pyrazolo[4,3-c]quinolin-4-one
SMILES
CCN1C(=O)C2=C(NN=C2C)C2=C1C=CC=C2
Độ hòa tan
7.83e-01 g/l
logP
1.32
logS
-2.5
pKa (strongest acidic)
8.49
pKa (Strongest Basic)
-0.35
PSA
48.99 Å2
Refractivity
66.69 m3·mol-1
Polarizability
24.35 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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