6-CHLORO-3-(3-METHYLISOXAZOL-5-YL)-4-PHENYLQUINOLIN-2(1H)-ONE
Thuốc Gốc
Small Molecule
CTHH: C19H13ClN2O2
PTK: 336.772
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
336.772
Monoisotopic mass
336.066555377
InChI
InChI=1S/C19H13ClN2O2/c1-11-9-16(24-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)23/h2-10H,1H3,(H,21,23)
InChI Key
InChIKey=QINNOQKHPLWGBK-UHFFFAOYSA-N
IUPAC Name
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1,2-dihydroquinolin-2-one
Traditional IUPAC Name
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one
SMILES
CC1=NOC(=C1)C1=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2
Độ hòa tan
2.91e-02 g/l
logP
3.72
logS
-4.1
pKa (strongest acidic)
12.77
pKa (Strongest Basic)
0.55
PSA
55.13 Å2
Refractivity
104 m3·mol-1
Polarizability
34.34 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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