2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone
Thuốc Gốc
Small Molecule
CTHH: C23H24FN3O
PTK: 377.4546
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
377.4546
Monoisotopic mass
377.19034061
InChI
InChI=1S/C23H24FN3O/c1-16-4-2-5-20-22(16)25-21(26-23(20)28)6-3-13-27-14-11-18(12-15-27)17-7-9-19(24)10-8-17/h2,4-5,7-11H,3,6,12-15H2,1H3,(H,25,26,28)
InChI Key
InChIKey=LOFDUAJQRUYHBR-UHFFFAOYSA-N
IUPAC Name
2-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-yl]propyl}-8-methyl-3,4-dihydroquinazolin-4-one
Traditional IUPAC Name
2-{3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl}-8-methyl-3H-quinazolin-4-one
SMILES
CC1=CC=CC2=C1N=C(CCCN1CCC(=CC1)C1=CC=C(F)C=C1)NC2=O
Độ hòa tan
1.26e-02 g/l
logP
3.75
logS
-4.5
pKa (strongest acidic)
9.95
pKa (Strongest Basic)
8.78
PSA
44.7 Å2
Refractivity
113.01 m3·mol-1
Polarizability
42.19 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
1
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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