Tìm theo
6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE
Thuốc Gốc
Small Molecule
CTHH: C22H21N5O3
PTK: 403.4338
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
403.4338
Monoisotopic mass
403.164439563
InChI
InChI=1S/C22H21N5O3/c1-28-19-9-15-18(10-20(19)29-2)24-13-25-22(15)27-8-7-14(12-27)30-21-11-23-16-5-3-4-6-17(16)26-21/h3-6,9-11,13-14H,7-8,12H2,1-2H3/t14-/m1/s1
InChI Key
InChIKey=UBIIFKJMNRPNMT-CQSZACIVSA-N
IUPAC Name
6,7-dimethoxy-4-[(3R)-3-(quinoxalin-2-yloxy)pyrrolidin-1-yl]quinazoline
Traditional IUPAC Name
6,7-dimethoxy-4-[(3R)-3-(quinoxalin-2-yloxy)pyrrolidin-1-yl]quinazoline
SMILES
[H][C@]1(CCN(C1)C1=NC=NC2=CC(OC)=C(OC)C=C12)OC1=NC2=CC=CC=C2N=C1
Độ hòa tan
6.08e-02 g/l
logP
3.32
logS
-3.8
pKa (Strongest Basic)
5.37
PSA
82.49 Å2
Refractivity
111.29 m3·mol-1
Polarizability
42.39 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
8
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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