3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one
Thuốc Gốc
Small Molecule
CTHH: C24H23N5O
PTK: 397.4723
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
397.4723
Monoisotopic mass
397.190260383
InChI
InChI=1S/C24H23N5O/c1-14-8-9-29(17-5-6-18-20(11-17)27-13-24(18,2)3)22(30)21(14)15-4-7-19-16(10-15)12-26-23(25)28-19/h4-12,27H,13H2,1-3H3,(H2,25,26,28)
InChI Key
InChIKey=LHLGUOHREUTYTO-UHFFFAOYSA-N
IUPAC Name
3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-4-methyl-1,2-dihydropyridin-2-one
Traditional IUPAC Name
3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-methylpyridin-2-one
SMILES
CC1=C(C(=O)N(C=C1)C1=CC=C2C(NCC2(C)C)=C1)C1=CC2=CN=C(N)N=C2C=C1
Độ hòa tan
1.12e-02 g/l
logP
3.37
logS
-4.5
pKa (strongest acidic)
16.46
pKa (Strongest Basic)
4.27
PSA
84.14 Å2
Refractivity
121.22 m3·mol-1
Polarizability
44.87 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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