6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE
Thuốc Gốc
Small Molecule
CTHH: C14H9F9N2O
PTK: 392.2197
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
392.2197
Monoisotopic mass
392.057116765
InChI
InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26)
InChI Key
InChIKey=ULBPQWIGZUGPHU-UHFFFAOYSA-N
IUPAC Name
6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
Traditional IUPAC Name
6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILES
FC(F)(F)CN(CC(F)(F)F)C1=CC2=C(NC(=O)C=C2C(F)(F)F)C=C1
Độ hòa tan
6.07e-03 g/l
logP
4.28
logS
-4.8
pKa (strongest acidic)
14.43
pKa (Strongest Basic)
-2.2
PSA
32.34 Å2
Refractivity
75.82 m3·mol-1
Polarizability
26.99 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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