4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-3-ISOPROPYLQUINOLIN-2(1H)-ONE
Thuốc Gốc
Small Molecule
CTHH: C17H16FNO2
PTK: 285.3128
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
285.3128
Monoisotopic mass
285.116506966
InChI
InChI=1S/C17H16FNO2/c1-10(2)15-16(21-8-7-11-3-4-11)13-9-12(18)5-6-14(13)19-17(15)20/h5-6,9-11H,3-4H2,1-2H3,(H,19,20)
InChI Key
InChIKey=YVJFHKQYMKKIHK-UHFFFAOYSA-N
IUPAC Name
4-[(2-cyclopropylethynyl)oxy]-6-fluoro-3-(propan-2-yl)-1,2-dihydroquinolin-2-one
Traditional IUPAC Name
4-[(2-cyclopropylethynyl)oxy]-6-fluoro-3-isopropyl-1H-quinolin-2-one
SMILES
CC(C)C1=C(OC#CC2CC2)C2=CC(F)=CC=C2NC1=O
Độ hòa tan
8.62e-03 g/l
logP
2.8
logS
-4.5
pKa (strongest acidic)
12.88
pKa (Strongest Basic)
-1.6
PSA
38.33 Å2
Refractivity
79.78 m3·mol-1
Polarizability
29.68 Å3
Rotatable Bond Count
4
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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